CoumarinDB

Coumarin is considered a versatile and privileged scaffold in medicinal chemistry. In recent decades, a large number of natural products containing the coumarin scaffold have been isolated and identified from natural resources. The literature shows that coumarin derivatives display a wide spectrum of biological activities such as antibacterial, antioxidant, anticoagulant, anti-inflammatory, and neuroprotective properties.
For this reason, CoumarinDB was created to collect chemical information about naturally occurring coumarins to cope with the increasing available data and to speed up the drug discovery process from natural products.

For more information and to cite this database, please refer to the related published article titled "Chemical library design, QSAR modeling and molecular dynamics simulations of naturally occurring coumarins as dual inhibitors of MAO-B and AChE." The research, published in the Journal of Biomolecular Structure and Dynamics, is available at https://doi.org/10.1080/07391102.2023.2209650.

Name	PubChem ID	CDB ID	Molecular Formula	Smiles	InChI-Key	Chemical class	Natural source	Total Molweight	cLogP	cLogS	H-Acceptors	H-Donors	Rotatable Bonds	Polar Surface Area
Coumarin	323	CDB0001	C9H6O2	C1=CC=C2C(=C1)C=CC(=O)O2	ZYGHJZDHTFUPRJ-UHFFFAOYSA-N	Non-Oxygenated Coumarins	Coumarouna odorata	146.145	1.4974	-2.37	2	0	0	26.3
Trigoforin	12267346	CDB0002	C12H12O2	CC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C	KAFSSZHADPCOBG-UHFFFAOYSA-N	Non-Oxygenated Coumarins	Trigonella foenumgraecum	188.225	2.3597	-2.567	2	0	0	26.3
Setarin	131752308	CDB0003	C12H10O3	CC(=C)OC1=CC(=O)OC2=CC=CC=C21	UUTFFHNHMRSARV-UHFFFAOYSA-N	4-Oxygenated Coumarins	Setaria italica	202.208	2.9783	-2.978	3	0	2	35.53
Foetidin	15945065	CDB0004	C24H30O4	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC(=O)OC4=CC=CC=C43)C	WLYRUZQGIVCRDD-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ferula assafoetida	382.498	4.5462	-4.781	4	1	3	55.76
Ferulenol	54679300	CDB0005	C24H30O3	CC(=CCCC(=CCCC(=CCC1=C(C2=CC=CC=C2OC1=O)O)C)C)C	NJJDBBUWWOAOLD-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ferula communis	366.499	7.6164	-4.685	3	1	8	46.53
Fercoprolone	14630584	CDB0006	C18H18O5	CC(=O)C=CCC(C)(C1CC2=C(O1)C3=CC=CC=C3OC2=O)O	IVEPSWGFYBYEJL-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ferula communis ssp. communis	314.336	2.2673	-3.133	5	1	4	72.83
Fercoprenol	14630581	CDB0007	C24H30O5	CC(=C)C(CCC(=CCCC(C)(C1CC2=C(O1)C3=CC=CC=C3OC2=O)O)C)O	RKKVQLIIGOFPJB-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ferula communis ssp. communis	398.497	5.1434	-4.349	5	2	8	75.99
Ferprenin	5387614	CDB0008	C24H28O3	CC(=CCCC(=CCCC1(C=CC2=C(O1)C3=CC=CC=C3OC2=O)C)C)C	JQLNFODDCYXPCO-DEOSSOPVSA-N	4-Oxygenated Coumarins	Ferula communis	364.483	6.6499	-4.752	3	0	6	35.53
Frutinone A	441965	CDB0009	C16H8O4	C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4O3)C(=O)O2	RFWULRHBGYKEEZ-UHFFFAOYSA-N	4-Oxygenated Coumarins	Polygala fruticosa	264.236	2.7476	-3.714	4	0	0	52.6
Frutinone C	14442651	CDB0010	C16H8O5	C1=CC=C2C(=C1)C3=C(C(=O)C4=C(O3)C(=CC=C4)O)C(=O)O2	OXCHFCIHFMQOCE-UHFFFAOYSA-N	4-Oxygenated Coumarins	Polygala fruticosa	280.235	2.4019	-3.418	5	1	0	72.83
Brachycoumarin	101317835	CDB0011	C20H24O3	CC1=C2C(=CC=C1)OC(=O)C(=C2O)C(C)C(=CCC=C(C)C)C	MWUPCDHWZJCKQP-HNNXBMFYSA-N	4-Oxygenated Coumarins	Brachyclades megalanthus	312.408	5.5524	-3.943	3	1	4	46.53
Pterophyllin I	15838081	CDB0012	C15H14O3	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(C3)C(=C)C	VXCKZKCKFMIQKD-GFCCVEGCSA-N	4-Oxygenated Coumarins	Ekebergia pterophylla	242.273	3.1609	-3.326	3	0	1	35.53
Pterophyllin 5	15838084	CDB0013	C15H14O4	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(C3O)C(=C)C	OIHYWGWAYOXSRB-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ekebergia pterophylla	258.272	2.3088	-2.927	4	1	1	55.76
Pterophyllin 4	15838083	CDB0014	C14H10O4	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(=C3)C(=O)C	QZSWQZATUQOFHE-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ekebergia pterophylla	242.229	2.4843	-4.488	4	0	1	56.51
Pterophyllin 2	10977554	CDB0015	C15H12O3	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(=C3)C(=C)C	VQUALAOMJNCAIH-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ekebergia pterophylla	240.257	3.5364	-4.338	3	0	1	39.44
Pterophyllin 3	15838082	CDB0016	C15H16O3	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(CC3)(C)C	IWRBSPVHSCTEFR-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ekebergia pterophylla	244.289	2.9256	-3.372	3	0	0	35.53
Preethuliacoumarin	133556390	CDB0017	C20H22O3	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(CC3(C)C=C)C=C(C)C	NJVADEFPOCMONF-UHFFFAOYSA-N	4-Oxygenated Coumarins	Vernonia cinarescens	310.392	4.7603	-4.245	3	0	2	35.53
Triptiliocoumarin	14104248	CDB0018	C25H30O3	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(CC3(C)C=C)C=C(C)CCC=C(C)C	CZZAJXDYJLEVJF-UHFFFAOYSA-N	4-Oxygenated Coumarins	Triptilion benaventei	378.51	6.9321	-5.221	3	0	5	35.53
Isoethuliacoumarin A	156678	CDB0019	C20H22O5	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(CC3(C)C=C)(C(C(=C)C)O)O	LJPDNHJFYBWMCF-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ethulia conyzoides	342.39	3.3943	-3.696	5	2	3	75.99
Isoethuliacoumarin B	15376404	CDB0020	C20H22O5	CC1=C2C(=CC=C1)OC(=O)C3=C2OC4(CC3(C)C=C)C(C(O4)(C)C)O	WEPZBXOVWNYLTR-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ethulia conyzoides	342.39	2.9186	-3.824	5	1	1	64.99
Cycloethuliacoumarin	102316529	CDB0021	C20H20O5	CC1=C2C(=CC=C1)OC(=O)C3=C2OC4(CC3(C)C=C)C5C(O5)(CO4)C	AWNULKZWGIHZJH-UHFFFAOYSA-N	4-Oxygenated Coumarins	Ethulia conyzoides	340.374	2.6382	-3.798	5	0	1	57.29
Bothrioclinin	21670094	CDB0022	C15H14O3	CC1=C2C(=CC=C1)OC(=O)C3=C2OC(C=C3)(C)C	NMHATOSACVYKOU-UHFFFAOYSA-N	4-Oxygenated Coumarins	Bothriocline taxa	242.273	2.6502	-3.144	3	0	0	35.53
Aphyllodenticulide	122368494	CDB0023	C20H20O5	CC1CCC2C1C3C4=C(C5=C(C=CC=C5OC4=O)C)OC2(C(=O)O3)C	GUJJYAWCAPDUTL-UHFFFAOYSA-N	4-Oxygenated Coumarins	Aphyllocladus denticulatus	340.374	2.4256	-4.035	5	0	0	61.83
Piloselloidal	54714263	CDB0024	C20H22O4	CC(=CCCC(=CCC1=C(C2=C(C=CC=C2OC1=O)C=O)O)C)C	ASBKVAWLDVJWDU-UHFFFAOYSA-N	4-Oxygenated Coumarins	Gerbera piloselloides	326.391	5.3779	-4.033	4	1	6	63.6
Mahaleboside	131751353	CDB0025	C15H16O8	C1=CC2=C(C=CC(=O)O2)C(=C1)OC3C(C(C(C(O3)CO)O)O)O	UMXDJWMIEHQSHF-UHFFFAOYSA-N	5-Oxygenated Coumarins	Prunus mahaleb	324.284	-0.8376	-1.96	8	4	3	125.68
Liqcoumarin	11378967	CDB0026	C12H10O4	CC1=CC(=O)OC2=C1C(=C(C=C2)C(=O)C)O	UMNMVZFOKSPTJN-UHFFFAOYSA-N	5-Oxygenated Coumarins	Glycyrrhiza glabra	218.207	1.1011	-2.487	4	1	1	63.6
Rubilactone	132415	CDB0027	C15H10O5	COC(=O)C1=C(C2=CC=CC=C2C3=C1C=CC(=O)O3)O	DYHKKGMKQBRCCG-UHFFFAOYSA-N	6-Oxygenated Coumarins	Rubia cordifolia	270.239	2.2591	-3.821	5	1	2	72.83
Umbelliferone	5281426	CDB0028	C9H6O3	C1=CC(=CC2=C1C=CC(=O)O2)O	ORHBXUUXSCNDEV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula galbaniflua	162.144	1.1517	-2.074	3	1	0	46.53
Marminal	131751651	CDB0029	C16H16O4	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC=O	OGCYHMZGMPRXBS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Aegle marmelos	272.299	2.8665	-3.372	4	0	6	52.6
Auraptene	1550607	CDB0030	C19H22O3	CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C	RSDDHGSKLOSQFK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus aurantium	298.381	5.2685	-4.1	3	0	6	35.53
Anisocoumarin H	14376449	CDB0031	C19H22O4	CC(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O)C	VNADFOGBKXRWGC-MRXNPFEDSA-N	7-Oxygenated Coumarins	Baccharis darwinii	314.38	4.2467	-3.701	4	1	6	55.76
Diversinin	71588802	CDB0032	C19H20O4	CC(=CC(=O)CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C	JONVYPGHELSEDP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula diversivittata	312.364	4.2155	-3.752	4	0	6	52.6
Diversin	13800313	CDB0033	C19H20O4	CC(=C)CC(=O)C=C(C)CCOC1=CC2=C(C=C1)C=CC(=O)O2	MHBHKIGMBRHPJH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula diversivittata	312.364	4.2822	-3.919	4	0	7	52.6
Excavatin A	15485577	CDB0034	C19H22O5	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC(C=C(C)CO)O	IMLYNABZONYGFI-INIZCTEOSA-N	7-Oxygenated Coumarins	Clausena excavata	330.379	3.32	-3.194	5	2	7	75.99
Marmin	6450230	CDB0035	C19H24O5	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)O)O	QYYKWTUUCOTGNS-KRWDZBQOSA-N	7-Oxygenated Coumarins	Aegle marmelos	332.395	3.2513	-3.515	5	2	7	75.99
Chloromarmin	13965510	CDB0036	C19H23O4Cl	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)Cl)O	LJKOFXGMGDOURN-KRWDZBQOSA-N	7-Oxygenated Coumarins	Aegle marmelos	350.841	4.4595	-4.314	4	1	7	55.76
Pituranthoside	101682294	CDB0037	C25H34O10	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(C(C)(C)OC3C(C(C(C(O3)CO)O)O)O)O	FOXNJWZLANRZNJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Pituranthos triradiatus	494.535	1.4142	-3.215	10	5	10	155.14
Excavatin C	15485572	CDB0038	C19H22O5	CC1(C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3)CC=CC(C)(C)O	KPHAWSGLVQWJHP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	330.379	2.5901	-3.582	5	1	6	68.29
Excavatin B	15485575	CDB0039	C19H22O5	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC3C(O3)C(C)(C)O	UUNMPBCTAGMNET-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	330.379	2.8985	-3.597	5	1	6	68.29
Aeglin	131753136	CDB0040	C25H34O11	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C(CC(C(C)(C)O)OC3C(C(C(C(O3)CO)O)O)O)O	HLXHWKRKFDBAEQ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Aegle marmelos	510.534	0.3924	-2.816	11	6	10	175.37
Excavatin H	15485574	CDB0041	C19H20O6	CC1CC(OC1=O)C(C(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C)O	PAARGKWPJAUKIO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	344.362	2.1259	-3.522	6	1	5	82.06
Excavatin F	15485573	CDB0042	C19H18O6	CC1=CC(OC1=O)C(C(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C)O	JYYSLADUUKHTSY-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	342.346	2.0214	-3.258	6	1	5	82.06
Excavatin I	15872297	CDB0043	C19H20O6	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC3CC(C(=O)O3)(C)O	QEUOCUPPPSPUBH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	344.362	2.3243	-3.471	6	1	5	82.06
Excavatin E	15872300	CDB0044	C19H18O6	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC3C=C(C(=O)O3)CO	NYBMIJVQEQCOLI-INIZCTEOSA-N	7-Oxygenated Coumarins	Clausena excavata	342.346	2.1165	-3.15	6	1	6	82.06
Excavatin K	15485571	CDB0045	C19H18O6	CC1=CC(OC1=O)CC2(C(O2)COC3=CC4=C(C=C3)C=CC(=O)O4)C	NXSSKLILAXGDEK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	342.346	1.6124	-3.553	6	0	5	74.36
Excavatin J	15485576	CDB0046	C19H20O7	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CC3CC(C(=O)O3)(CO)O	UZEQGDCXQPIQSW-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	360.361	1.3976	-2.964	7	2	6	102.29
Excavatin M	15871351	CDB0047	C19H20O7	CC1(CC(OC1=O)CC2(C(O2)COC3=CC4=C(C=C3)C=CC(=O)O4)C)O	UMYAEKVHXDURJS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena excavata	360.361	0.8935	-3.367	7	1	5	94.59
Tavicone	3694933	CDB0048	C23H26O4	CC1=CCC2C(C(=O)CC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C	BUPDBEMKWPDILI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula karatavica	366.455	4.1539	-4.752	4	0	3	52.6
Kokanicin (Cocanicin)	101288412	CDB0049	C24H30O3	CC(=CCCC(=CCCC(C)(C=C)OC1=CC2=C(C=C1)C=CC(=O)O2)C)C	MYHPTRDZDZEMML-XMMPIXPASA-N	7-Oxygenated Coumarins	Ferula kokanica	366.499	7.1861	-5.336	3	0	9	35.53
Umbelliprenin	1781413	CDB0050	C24H30O3	CC(=CCCC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C)C	GNMUGVNEWCZUAA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica archangelica	366.499	7.4403	-5.076	3	0	9	35.53
Asacoumarin A	14313756	CDB0051	C24H30O5	CC(=CCC(C(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)O)C)O)C	NFXNEAJDYTXPLG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula assafoetida	398.497	5.3967	-4.278	5	2	9	75.99
Karatavicinol	44386968	CDB0052	C24H32O5	CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)CCC(C(C)(C)O)O	SOTUFGKJQVSOCT-QFIPXVFZSA-N	7-Oxygenated Coumarins	Ferula karatavica	400.513	5.4231	-4.491	5	2	10	75.99
Reoselin	6445962	CDB0053	C36H52O15	CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)CCC(C(C)(C)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)O)O	IRJOYYJBFNUUNS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula pseudooreoselinum	724.794	1.7489	-3.891	15	8	16	234.29
Assafoetidin	131751454	CDB0054	C24H30O4	CC1=C(C(C(CC1)O)(C)C)CCC(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C	FDKWXRYTMNZMOF-JOCHJYFZSA-N	7-Oxygenated Coumarins	Ferula assafoetida	382.498	5.434	-4.788	4	1	6	55.76
Kopetdaghin (Famesiferol D)	44575344	CDB0055	C24H30O4	CC1=CCC(C(C1CCC(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C)(C)C)O	UFACQRQRVMGYSY-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kopetdaghensis	382.498	5.2631	-4.824	4	1	6	55.76
Farnesiferol B (Kopeodin)	131750875	CDB0056	C24H30O4	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(=C)CCC(C3(C)C)O	XXKXCRGLMFAXTK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula assafoetida	382.498	5.3414	-4.991	4	1	6	55.76
Farnesiferol C	15559239	CDB0057	C24H30O4	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C4CCC3(O4)C)(C)C	OCHZHKVSLMBEJP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula assafoetida	382.498	5.0986	-5.119	4	0	6	44.76
Kopeolin	38363845	CDB0058	C24H32O5	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C(CCC3(C)O)O)(C)C	HBYBDKQFQLMBGU-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kopetdaghensis	400.513	4.5442	-4.638	5	2	6	75.99
Kopeoside	101608681	CDB0059	C30H42O10	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C(CCC3(C)O)OC4C(C(C(C(O4)CO)O)O)O)(C)C	KAUFDVDLVRIRJS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kopetdaghensis	562.653	2.7071	-4.338	10	5	9	155.14
Kopeolone	102587506	CDB0060	C24H30O5	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C(=O)CCC3(C)O)(C)C	JSAUTOOLCZCTFD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kopetdaghensis	398.497	4.6879	-4.689	5	1	6	72.83
Feropolol	5207725	CDB0061	C24H34O6	CC1(C(CCC(C1CCC(C)(CCOC2=CC3=C(C=C2)C=CC(=O)O3)O)(C)O)O)C	SKOQTSGTXDUTPI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula polyantha	418.528	3.5488	-4.452	6	3	7	96.22
Feropolin	4234015	CDB0062	C26H36O7	CC(=O)OC1CCC(C(C1(C)C)CCC(C)(CCOC2=CC3=C(C=C2)C=CC(=O)O3)O)(C)O	YACCLBYDBDVLGC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula polyantha	460.565	4.0334	-4.862	7	2	9	102.29
Feropolone	23961958	CDB0063	C24H32O6	CC1(C(C(CCC1=O)(C)O)CCC(C)(CCOC2=CC3=C(C=C2)C=CC(=O)O3)O)C	PTVZJAODPHITSJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula polyantha	416.512	3.6925	-4.503	6	2	7	93.06
Ligupersin B	11876038	CDB0064	C24H28O5	CC1=CC(=O)C2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C	HIQLOIOGTRDMIW-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ligularia persica	396.481	3.6438	-4.623	5	1	3	72.83
Karatavic Acid	10340705	CDB0065	C24H28O5	CC1=CCC(C(C1COC2=CC3=C(C=C2)C=CC(=O)O3)(C)CCC(=O)O)C(=C)C	DRASTJFRZGDAQT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula karatavica	396.481	4.7205	-4.755	5	1	7	72.83
Fekrynol	59052606	CDB0066	C26H34O5	CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCCOC(=O)C	RXZXZUBVBUVUGS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula krylovii	426.551	5.7518	-5.244	5	0	8	61.83
Galbanic Acid (Asacoumarin B)	7082474	CDB0067	C24H30O5	CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)O	CVWWNYPTZYQCSE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula gummosa	398.497	4.9176	-4.816	5	1	6	72.83
Feselol (Moschatol)	179577	CDB0068	C24H30O4	CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C	MCTDXPDDZLFJHR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula pseudooreoselinum	382.498	4.3522	-4.971	4	1	3	55.76
Conferol (Mogoltacin)	11892267	CDB0069	C24H30O4	CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C	MCTDXPDDZLFJHR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	382.498	4.3522	-4.971	4	1	3	55.76
Conferone	3108117	CDB0070	C24H28O4	CC1=CCC2C(C(=O)CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C	VPAXJOUATWLOPR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	380.482	4.4959	-5.022	4	0	3	52.6
Mogoltin	15453233	CDB0071	C24H30O5	CC1=CCC2C(C(C(CC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)O)(C)C	JWVMDXKWIBRDDI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum mogoltavicum	398.497	3.5001	-4.572	5	2	3	75.99
Mogoltavin	101311684	CDB0072	C26H32O6	CC1=CCC2C(C(C(CC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)OC(=O)C)(C)C	IWZTUNIAOIXHOT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum mogoltavicum	440.534	3.9847	-4.982	6	1	5	82.06
Mogoltavinin	15560589	CDB0073	C29H36O6	CC=C(C)C(=O)OC1C(CC2(C(C1(C)C)CC=C(C2COC3=CC4=C(C=C3)C=CC(=O)O4)C)C)O	DSABPXOZOVGFEE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum mogoltavicum	480.599	5.2477	-5.418	6	1	6	82.06
Conferoside	70698299	CDB0074	C30H38O10	CC1=CC(C2C(C(=O)CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C)OC5C(C(C(C(O5)CO)O)O)O	RZYSMVMKUYBYJF-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	558.622	1.8067	-4.323	10	4	6	151.98
Conferin	129010563	CDB0075	C16H18O6	COC1=C(C=CC(=C1)C2=COC3CC(C(CC3C2=O)O)O)O	WHYNRUXPRFHLFK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	306.313	0.0322	-2.182	6	3	2	96.22
Ferocaulidin	14865892	CDB0076	C24H28O5	CC1=CC(=O)C2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C	HIQLOIOGTRDMIW-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	396.481	3.6438	-4.623	5	1	3	72.83
Conferdione	5179580	CDB0077	C24H26O5	CC1=CC(=O)C2C(C(=O)CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)(C)C	DXVHSOMRFHJYQX-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	394.465	3.7875	-4.674	5	0	3	69.67
Colladonin	375430	CDB0078	C24H30O4	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	FCWYNTDTQPCVPG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Colladonia triquetra	382.498	4.4305	-5.138	4	1	3	55.76
Colladin	1765141	CDB0079	C26H32O5	CC(=O)OC1CCC2(C(C1(C)C)CCC(=C)C2COC3=CC4=C(C=C3)C=CC(=O)O4)C	MNGYOFNIAOWXIT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Colladonia triquetra	424.535	4.9151	-5.548	5	0	5	61.83
Badrakemin	1771505	CDB0080	C26H32O5	CC(=O)OC1CCC2(C(C1(C)C)CCC(=C)C2COC3=CC4=C(C=C3)C=CC(=O)O4)C	MNGYOFNIAOWXIT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula badrakema	424.535	4.9151	-5.548	5	0	5	61.83
Badrakemone	101793077	CDB0081	C24H28O4	CC1(C2CCC(=C)C(C2(CCC1=O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	PJXNPYBRJFKRPB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula nevskii	380.482	4.5742	-5.189	4	0	3	52.6
Lehmferidin (Ferilin)	26087982	CDB0082	C24H30O4	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	FCWYNTDTQPCVPG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula lehmanni	382.498	4.4305	-5.138	4	1	3	55.76
Cauferoside	53316970	CDB0083	C30H40O10	CC1(C(CCC2(C1C(CC(=C)C2COC3=CC4=C(C=C3)C=CC(=O)O4)OC5C(C(C(C(O5)CO)O)O)O)C)O)C	QXUYLJHWIGWKRJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula conocaula	560.638	1.7413	-4.439	10	5	6	155.14
Farnesiferol A (Mogoltadin)	7067262	CDB0084	C24H30O4	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	FCWYNTDTQPCVPG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula assafoetida	382.498	4.4305	-5.138	4	1	3	55.76
Gummosin	7092581	CDB0085	C24H30O4	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	FCWYNTDTQPCVPG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula gummosa	382.498	4.4305	-5.138	4	1	3	55.76
Polyanthinin	103743787	CDB0086	C27H34O5	C=C1CC[C@]2(C)C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1	FKTIVUFKTFDYDD-LONWNBDUSA-N	7-Oxygenated Coumarins	Ferula polyanthum	438.562	5.2466	-5.725	5	0	5	61.83
Mogoltadone	14865891	CDB0087	C24H28O4	CC1(C2CCC(=C)C(C2(CCC1=O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	PJXNPYBRJFKRPB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula mogoltavica	380.482	4.5742	-5.189	4	0	3	52.6
Isosamarcandin	6442630	CDB0088	C29H38O6	CC=C(C)C(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	UFPQYBAJCMMCRR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula microloba	482.615	5.3809	-5.631	6	1	6	82.06
Samarcandin (Mogoltavidin)	71587098	CDB0089	C24H32O5	CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	WNANPKYNOALKIV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula samarcandica	400.513	3.6333	-4.785	5	2	3	75.99
Samarcandone	101285185	CDB0090	C24H30O5	CC1(C2CCC(C(C2(CCC1=O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	KWFSFXRPFGONDD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula samarcandica	398.497	3.777	-4.836	5	1	3	72.83
Nevskin	495442	CDB0091	C24H32O5	CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	WNANPKYNOALKIV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula nevskii	400.513	3.6333	-4.785	5	2	3	75.99
Feshurin	11873225	CDB0092	C24H32O5	CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	WNANPKYNOALKIV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula schtschurowskiana	400.513	3.6333	-4.785	5	2	3	75.99
Kokanidin	126961508	CDB0093	C26H34O6	CC(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	RIPKCRCUFJSKKD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kokanica	442.55	4.1179	-5.195	6	1	5	82.06
Ferukrin	11875840	CDB0094	C24H32O5	CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	WNANPKYNOALKIV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula krylovii	400.513	3.6333	-4.785	5	2	3	75.99
Deacetylkellerin	7091630	CDB0095	C24H32O5	CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	WNANPKYNOALKIV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kokanica	400.513	3.6333	-4.785	5	2	3	75.99
Kellerin	40580807	CDB0096	C26H34O6	CC(=O)OC1CCC2(C(C1(C)C)CCC(C2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C	RIPKCRCUFJSKKD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula kelleri	442.55	4.1179	-5.195	6	1	5	82.06
Kamolol	191499	CDB0097	C24H32O4	CC1CCC2(C(C(CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)O)C)C	VZHMLYJMPGDZPE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula penninervis	384.514	4.4567	-5.235	4	1	3	55.76
Kamolone	191500	CDB0098	C24H30O4	CC1CCC2(C(C(=O)CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C)C	RMXJARGUSLRHBH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula penninervis	382.498	4.6004	-5.286	4	0	3	52.6
Kamolonol	46883037	CDB0099	C24H30O5	CC1CC(C2(C(C(=O)CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C)C)O	XYUJBOZUFFMPGO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula assafoetida	398.497	3.7483	-4.887	5	1	3	72.83
Fecarpin	101321345	CDB0100	C24H32O4	CC1CCC2(C(C(CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)O)C)C	VZHMLYJMPGDZPE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula microcarpa	384.514	4.4567	-5.235	4	1	3	55.76
Microlobin	46882990	CDB0101	C26H32O6	CC1CC(C2(C(C(=O)CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C)C)OC(=O)C	PIGAODQEDMJGTF-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ferula microloba	440.534	4.2329	-5.297	6	0	5	78.9
Skimmin	99693	CDB0102	C15H16O8	C1=CC(=CC2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	VPAOSFFTKWUGAD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Skimmia japonica	324.284	-0.8376	-1.96	8	4	3	125.68
Isoapiosylskimmin	10766203	CDB0103	C20H24O12	C1C(C(C(O1)OC2C(C(C(OC2OC3=CC4=C(C=C3)C=CC(=O)O4)CO)O)O)O)(CO)O	UUOIUESIXZINPC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica gigas	456.399	-2.1913	-1.52	12	6	6	184.6
Adicardin	146156287	CDB0104	C20H24O12	C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O)O)O)O)(CO)O	SXPBJYHKMRWZNA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Gmelina arborea	456.399	-2.1913	-1.52	12	6	6	184.6
Dauroside A	101311687	CDB0105	C15H16O9	C1=CC(=O)OC2=C1C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O	MIDRSLXOVDOSTL-UHFFFAOYSA-N	7-Oxygenated Coumarins	Haplophyllum dauricum	340.283	-1.6077	-1.191	9	6	2	156.91
Angustifolin	21575185	CDB0106	C21H28O6	CC12CCCC3(C1C(OC2)OC)COC(=O)C45C3C(CC(C4)C(=C)C5=O)O	OCIBRRBOOBNKJY-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ruta angustifolia	376.447	1.4073	-3.067	6	1	1	82.06
Crenulatin	5316128	CDB0107	C11H20O6	CC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O	ZEGGZNOPAPRAIG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	248.274	-0.7778	-0.873	6	4	4	99.38
Buntansin	15627934	CDB0108	C11H8O5	COC1=C(C=C2C=CC(=O)OC2=C1)C(=O)O	GQYZDAIERJIQDI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus grandis	220.18	0.9125	-2.401	5	1	2	72.83
Peuruthenicin	5748646	CDB0109	C11H8O5	COC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)O	LEIVLXXHPABGQA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum ruthenicum	220.18	1.0647	-2.215	5	1	2	72.83
Buntansin B	101664569	CDB0110	C14H14O5	CC(=O)CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O	IKTQFLXJWYKGDA-NSHDSACASA-N	7-Oxygenated Coumarins	Citrus grandis	262.26	0.9726	-2.535	5	1	4	72.83
Demethylsuberosin	5316525	CDB0111	C14H14O3	CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C	FIDUIAPDSKSUGO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	230.262	3.1742	-3.013	3	1	2	46.53
Suberosin	68486	CDB0112	C15H16O3	CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C	RSZDAYHEZSRVHS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Zanthoxylum suberosum	244.289	3.4499	-3.327	3	0	3	35.53
Citrubuntin	14077807	CDB0113	C15H14O3	CC(=C)C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC	GHVNFLHFOPJJNP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus grandis	242.273	3.3933	-3.629	3	0	3	35.53
Swietenol	71439066	CDB0114	C14H16O4	CC(C)(CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)O	GCEIHMYKBVGJLS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	248.277	2.1788	-2.827	4	2	3	66.76
Suberenol	5375166	CDB0115	C15H16O4	CC(C)(C=CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O	LNFVZUMSDAIQDQ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Zanthoxylum suberosum	260.288	2.3312	-3.276	4	1	3	55.76
Thamnosmin	90218	CDB0116	C15H14O4	CC(=C)C1C(O1)C2=C(C=C3C(=C2)C=CC(=O)O3)OC	OWHKEKWVODZGMR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Thamnosma montana	258.272	2.346	-3.028	4	0	3	48.06
Geijerin	235195	CDB0117	C15H16O4	CC(C)CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC	ZXVIZFSHTAUXCC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Geijera salicifolia	260.288	2.4257	-3.772	4	0	4	52.6
Dehydrogeijerin	620900	CDB0118	C15H14O4	CC(=CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C	XJDSLGAFRQCARR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Geijera parviflora	258.272	2.5616	-3.508	4	0	3	52.6
Peroxytamarin	15108308	CDB0119	C15H16O5	CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)OO	LZJVVLHCLPNUJM-LBPRGKRZSA-N	7-Oxygenated Coumarins	Citrus sulcata	276.287	2.6969	-3.42	5	1	5	64.99
Peucedanol	44144279	CDB0120	C20H26O10	CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O)O	DMCVVAVPFHUPNH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum japonicum	426.416	-0.8323	-2.314	10	6	6	166.14
Ulopterol (Pubesinol)	176475	CDB0121	C15H18O5	CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O	BNLKKFPQJANWMM-ZDUSSCGKSA-N	7-Oxygenated Coumarins	Prangos uloptera	278.303	1.4327	-2.742	5	2	4	75.99
Peujaponiside	101665120	CDB0122	C25H34O14	CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)O)O	DVLIAXKBIVLBKD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum japonicum	558.531	-2.186	-1.874	14	8	9	225.06
Thamnosmonin	312089	CDB0123	C15H16O5	CC(=C)C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O	PMZIJDMODGMWOR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Thamnosma montana	276.287	1.4247	-2.547	5	2	4	75.99
Hopeyhopin	609122	CDB0124	C15H14O5	CC1(C(O1)C(=O)C2=C(C=C3C(=C2)C=CC(=O)O3)OC)C	VFKJAXDQCDDPCK-CQSZACIVSA-N	7-Oxygenated Coumarins	Amyris madrensis	274.271	1.1308	-3.404	5	0	3	65.13
Angelol J	10087472	CDB0125	C17H22O6	CCOC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	SPEUNNBYNAGBGC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens f. biserrata	322.356	1.1968	-2.622	6	2	6	85.22
Angelol G	10362168	CDB0126	C20H24O7	CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	BAHUBXAYVOCLNA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	376.404	2.1102	-3.04	7	2	7	102.29
Angelol H	44144314	CDB0127	C20H24O7	CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	BAHUBXAYVOCLNA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	376.404	2.1102	-3.04	7	2	7	102.29
Angelitriol	10017318	CDB0128	C15H18O6	CC(C)(C(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)O)O	PCSZTTAMZGNQNB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	294.302	0.3626	-2.194	6	3	4	96.22
Angelol C	23259941	CDB0129	C20H26O7	CCC(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	LEQFGQJFFOQFOZ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	378.419	1.9743	-3.304	7	2	8	102.29
Angelol B	10022392	CDB0130	C20H24O7	CC=C(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	GFMYIOGFYYHKLA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	376.404	2.1102	-3.04	7	2	7	102.29
Angelol (Angelol A)	21669994	CDB0131	C20H24O7	CC=C(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)O	GFMYIOGFYYHKLA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens	376.404	2.1102	-3.04	7	2	7	102.29
Angeloside A	44202793	CDB0132	C26H34O12	CC=C(C)C(=O)OC(C(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O	JQRINLSNXYJBIC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Coelopleurum gmelinii	538.544	0.2731	-2.74	12	5	10	181.44
Angelol K	10248936	CDB0133	C20H24O7	CC=C(C)C(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	BAHUBXAYVOCLNA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens f. biserrata	376.404	2.1102	-3.04	7	2	7	102.29
Angelol L	15230415	CDB0134	C20H26O7	CC(C)CC(=O)OC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C(C(C)(C)O)O	WPJFTNISWIMPLM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica pubescens f. biserrata	378.419	1.9743	-3.304	7	2	8	102.29
Micromelin (Micromelumin)	146157326	CDB0135	C15H12O6	CC12C(O1)C(OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC	VIORQNDMAWQQCV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Micromelum minutum	288.254	0.412	-2.631	6	0	2	74.36
Ostruthin	5281420	CDB0136	C19H22O3	CC(=CCCC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C)C	INBMTJJPUABOQJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus hassaku	298.381	5.346	-3.989	3	1	5	46.53
Peucenol (Peumorisin)	71438144	CDB0137	C18H20O3	CC1(CCC(C=C1)(C)C2=C(C=C3C(=C2)C=CC(=O)O3)O)C	TZIJCRYUQXPGEI-GOSISDBHSA-N	7-Oxygenated Coumarins	Peucedanum morisonii	284.354	3.3859	-4.239	3	1	1	46.53
Naphthoherniarin	363452	CDB0138	C22H16O6	CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=C4C(=C3)C=CC(=O)O4)OC	MSDIEAZOLJWCBV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ruta graveolens	376.363	3.1384	-6.103	6	0	3	78.9
Acrimarine B	14192331	CDB0139	C31H29NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)OC)OC)OC)C	GYFLCSOBRHGLCZ-IBGZPJMESA-N	7-Oxygenated Coumarins	Citrus funadoko	543.57	5.8171	-6.826	9	2	7	112.55
Acrimarine C	14192332	CDB0140	C30H27NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C(C4=C3NC5=C(C4=O)C=CC(=C5OC)O)O)OC)C	MKHSQXGFTMXXLB-SFHVURJKSA-N	7-Oxygenated Coumarins	Citrus funadoko	529.543	5.5414	-6.512	9	3	6	123.55
Acrimarine D	14886045	CDB0141	C31H29NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C(C4=C3NC5=C(C4=O)C=CC(=C5OC)OC)O)OC)C	CSICEUBOWFUIAN-IBGZPJMESA-N	7-Oxygenated Coumarins	Citrus funadoko	543.57	5.8171	-6.826	9	2	7	112.55
Acrimarine E	14886046	CDB0142	C30H27NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4)C(=C(C=C5)O)OC)OC)C	BUGYRWXAPBSPAH-SFHVURJKSA-N	7-Oxygenated Coumarins	Citrus funadoko	529.543	5.5414	-6.512	9	3	6	123.55
Acrimarine F	5491701	CDB0143	C31H29NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)O)OC)OC)C	SVXRUUBPUPCCBL-IBGZPJMESA-N	7-Oxygenated Coumarins	Citrus funadoko	543.57	5.6075	-6.99	9	2	6	114.76
Acrimarine H	14702537	CDB0144	C30H27NO7	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=CC=C5)O)OC)C	LUTVFOXEXBZKQE-IBGZPJMESA-N	7-Oxygenated Coumarins	Citrus unshiu x C. sinensis	513.544	5.6775	-6.972	8	2	5	105.53
Acrimarine I	102145465	CDB0145	C34H31NO7	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=CC=C6)O)C=CC(O4)(C)C)C	GSUYTELQWICLMF-QFIPXVFZSA-N	7-Oxygenated Coumarins	Ortus paradisi x C. tangerina	565.62	6.7742	-8.213	8	2	4	105.53
Acrimarine J	131752805	CDB0146	C35H33NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C4C(=C5C(=C3O)C(=O)C6=C(N5C)C(=C(C=C6)O)OC)C=CC(O4)(C)C)C	ZWXOIPZATSFFPY-QFIPXVFZSA-N	7-Oxygenated Coumarins	Citrus paradisi x C. tangerina	595.646	6.7042	-8.231	9	2	5	114.76
Acrimarine N	131752938	CDB0147	C32H31NO8	CC(=CC(C1=C(C=C2C(=C1)C=CC(=O)O2)OC)C3=C(C=C4C(=C3O)C(=O)C5=C(N4C)C(=C(C=C5)OC)OC)OC)C	DRQKNTLMXYUGTO-FQEVSTJZSA-N	7-Oxygenated Coumarins	Citrus paradisi x C. tangerina	557.597	5.8832	-7.304	9	1	7	103.76
Ammirin	759292	CDB0148	C14H12O3	CC(=C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	VMWUHWZFDITAOL-LLVKDONJSA-N	7-Oxygenated Coumarins	Ammi majus	228.246	2.9232	-3.448	3	0	1	35.53
Isoangenomalin	611672	CDB0149	C14H12O3	CC(=C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	VMWUHWZFDITAOL-LLVKDONJSA-N	7-Oxygenated Coumarins	Scaevola lobelia	228.246	2.9232	-3.448	3	0	1	35.53
Nodakenetin	26305	CDB0150	C14H14O4	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	FWYSBEAFFPBAQU-GFCCVEGCSA-N	7-Oxygenated Coumarins	Angelica decursiva	246.261	1.8611	-3.095	4	1	1	55.76
Nodakenin	73191	CDB0151	C20H24O9	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	HXCGUCZXPFBNRD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	408.402	0.024	-2.795	9	4	4	134.91
Decuroside I	122169321	CDB0152	C26H34O14	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O	AUYDWCKBYROHJQ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	570.542	-1.8131	-2.495	14	7	7	214.06
Decuroside Iii	442125	CDB0153	C26H34O14	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O)O	FBXYOMVTZDVTHK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	570.542	-1.8131	-2.495	14	7	7	214.06
Tschuin (Chuin)	101311662	CDB0154	C22H18O7	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C(=O)C4=CC=C(C=C4)O	RNTJDJDUXWVMJY-GOSISDBHSA-N	7-Oxygenated Coumarins	Seseli tschuense	394.378	2.5536	-4.525	7	1	5	99.13
Secorin	101311663	CDB0155	C23H20O6	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C=CC4=CC=C(C=C4)O	RKAIOFHOPUEFQQ-HXUWFJFHSA-N	7-Oxygenated Coumarins	Seseli coronatum	392.406	3.773	-4.749	6	1	5	82.06
Marmesin	334704	CDB0156	C14H14O4	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	FWYSBEAFFPBAQU-GFCCVEGCSA-N	7-Oxygenated Coumarins	Aegle marmelos	246.261	1.8611	-3.095	4	1	1	55.76
Ammajin (Marmesinin)	216283	CDB0157	C20H24O9	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	HXCGUCZXPFBNRD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ammi majus	408.402	0.024	-2.795	9	4	4	134.91
Seseliflorin	90471425	CDB0158	C18H18O5S	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C=CSC	QYKVXEXDHLGBTM-HNNXBMFYSA-N	7-Oxygenated Coumarins	Seseli sesseliflorum	346.402	2.6578	-4.096	5	0	5	87.13
Deltoin	906525	CDB0159	C19H20O5	CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	HHNCJFKRMZDTHW-MRXNPFEDSA-N	7-Oxygenated Coumarins	Peucedanum deltoideum	328.363	3.6087	-3.941	5	0	4	61.83
Prantschimgin	25785	CDB0160	C19H20O5	CC(COC(=O)C=C(C)C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	FZZIJTGITFAJET-UHFFFAOYSA-N	7-Oxygenated Coumarins	Prangos tschimganica	328.363	3.5415	-3.884	5	0	5	61.83
Felamidin	1042895	CDB0161	C21H18O5	CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4	VIPXLQMQEIDXMH-GOSISDBHSA-N	7-Oxygenated Coumarins	Ferulago meoides	350.369	3.7895	-4.675	5	0	4	61.83
Sprengelianin	6183350	CDB0162	C19H20O5	CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	HHNCJFKRMZDTHW-MRXNPFEDSA-N	7-Oxygenated Coumarins	Heracleum sprengelianum	328.363	3.6087	-3.941	5	0	4	61.83
Oreoselone	2841563	CDB0163	C14H12O4	CC(C)C1C(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3	PYTXVUBIYABGPG-CQSZACIVSA-N	7-Oxygenated Coumarins		244.245	2.1698	-3.726	4	0	1	52.6
Smyrniorin	101967026	CDB0164	C18H18O7	CC(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(=O)C	MPSHHPOBEKGMGA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Smyrniopsis aucheri	346.334	2.1043	-3.367	7	0	5	88.13
Smyrnioridin	101306771	CDB0165	C21H22O7	CC=C(C)C(=O)OC1C(OC2=C1C=C3C=CC(=O)OC3=C2)C(C)(C)OC(=O)C	JSIFZCDOTCKEGQ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Smyrniopsis aucheri	386.399	3.3673	-3.803	7	0	6	88.13
Decuroside V	154572709	CDB0166	C20H24O10	CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O	KLPNFWKZLQAVTH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	424.401	-0.702	-2.247	10	5	4	155.14
Xanthoarnol	11482406	CDB0167	C14H14O5	CC(C)(C1C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O	AIQSGHBQRRSBCN-UHFFFAOYSA-N	7-Oxygenated Coumarins	Xanthoxylum arnottianum	262.26	1.1351	-2.547	5	2	1	75.99
Pterybinthinone	191959	CDB0168	C14H14O5	CC(C)(C1(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O	UCDAWFNICCNZOP-AWEZNQCLSA-N	7-Oxygenated Coumarins	Pteryxia terebinthina var. terebinthina	262.26	1.4502	-2.778	5	2	1	75.99
Dorsteniol	71438319	CDB0169	C14H14O5	CC(CO)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O	JWWIYTKCAJCERS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Dorstenia contrajerva	262.26	0.9344	-2.588	5	2	2	75.99
Psoralen (Ficusin)	6199	CDB0170	C11H6O3	C1=CC(=O)OC2=CC3=C(C=CO3)C=C21	ZCCUUQDIBDJBTK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Psoralea corylifoliaFicus carica	186.166	1.949	-3.529	3	0	0	39.44
Arnocoumarin	44147996	CDB0171	C14H10O3	CC(=C)C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	ILVSRSSJBQSUJM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Xanthoxylum arnottianum	226.23	2.9263	-4.087	3	0	1	39.44
Peucedanin (Oreoselone Methyl Ether)	8616	CDB0172	C15H14O4	CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC	YQBNJPACAUPNLV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum officinale	258.272	3.12	-4.442	4	0	2	48.67
Prangosine	177596	CDB0173	C14H13NO3	CC(C)(C1=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)N	IFPBIHSHJPJPCA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Prangos pabularia	243.261	1.8811	-3.998	4	1	1	65.46
Aegelinol	600671	CDB0174	C14H14O4	CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C	BGXFQDFSVDZUIW-GFCCVEGCSA-N	7-Oxygenated Coumarins	Aegle marmelos	246.261	1.8358	-3.095	4	1	0	55.76
Agasyllin	15596603	CDB0175	C19H20O5	CC=C(C)C(=O)OC1CC2=CC3=C(C=C2OC1=O)C(C=CO3)(C)C	GRMGLFLWIKMFAE-INIZCTEOSA-N	7-Oxygenated Coumarins	Agasyllis latifolia	328.363	3.308	-4.2	5	0	3	61.83
Decursinol	442127	CDB0176	C14H14O4	CC1(C(CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)C	BGXFQDFSVDZUIW-GFCCVEGCSA-N	7-Oxygenated Coumarins	Angelica gigas	246.261	1.8358	-3.095	4	1	0	55.76
Decursin	442126	CDB0177	C19H20O5	CC(=CC(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C	CUKSFECWKQBVED-MRXNPFEDSA-N	7-Oxygenated Coumarins	Angelica decursiva	328.363	3.5834	-3.941	5	0	3	61.83
Graveolone	177751	CDB0178	C14H12O4	CC1(CC(=O)C2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	WEDGVCZUPFZNDE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Anethum graveolens	244.245	2.1371	-3.675	4	0	0	52.6
Peuarin	101316837	CDB0179	C20H22O6	CC=C(C)C(=O)OC1C(C2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)OC	VGPPSZXNPGNBJV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum arenarium	358.389	3.2853	-3.521	6	0	4	71.06
Xanthalin	6450241	CDB0180	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C(=CC)C	LBKPHBYDOWPFMZ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Xanthogalum purpurascens	426.463	4.605	-4.239	7	0	6	88.13
Peuarenarine	5868511	CDB0181	C24H26O8	CC=C(C)C(=O)OC1C(C2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)OC(=O)C4(C(O4)C)C	SHZIIRHXBSCNRY-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum arenarium	442.462	3.1742	-4.135	8	0	6	100.66
Peuarenine	3084679	CDB0182	C24H26O9	CC1C(O1)(C)C(=O)OC2C(C(OC3=C2C=C4C=CC(=O)OC4=C3)(C)C)OC(=O)C5(C(O5)C)C	XVGNCXGTKQLGAI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum arenarium	458.461	1.7434	-4.031	9	0	6	113.19
Peuchloridin	101286260	CDB0183	C24H28O9Cl2	CC(C(C)(C(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C(C)(C(C)Cl)O)O)Cl	RNLMARCKTLBYFJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum arenarium	531.383	2.9768	-4.521	9	2	8	128.59
( + )-Decursidinol	10355323	CDB0184	C14H14O5	CC1(C(C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)O)O)C	SLXYBYCLCBXBFK-UHFFFAOYSA-N	7-Oxygenated Coumarins		262.26	1.1098	-2.547	5	2	0	75.99
Decursitin D	122169319	CDB0185	C19H20O6	CC=C(C)C(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)O	AESJNSAMTDSWJU-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	344.362	2.8574	-3.393	6	1	3	82.06
Pd-C-Ii	122169320	CDB0186	C19H20O6	CC(=CC(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)O)C	ZXBLITQYGGJILQ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	344.362	2.8574	-3.393	6	1	3	82.06
Decursitin B	21581509	CDB0187	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C=C(C)C	MUBXKIDUHCCWJE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum decursivum	426.463	4.605	-4.239	7	0	6	88.13
Andelin	101306694	CDB0188	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C=C(C)C	MUBXKIDUHCCWJE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica decursiva	426.463	4.605	-4.239	7	0	6	88.13
Decursidin	15521791	CDB0189	C24H26O7	CC(=CC(=O)OC1C(C(OC2=C1C=C3C=CC(=O)OC3=C2)(C)C)OC(=O)C=C(C)C)C	SYRXQLPUGCYKFH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica decursiva	426.463	4.605	-4.239	7	0	6	88.13
Palodesangren C	10696160	CDB0190	C30H26O6	CC1=CC2C(C(C1)C3=CC=C(C=C3)O)C(OC4=C2C=C5C=CC(=O)OC5=C4)C6=C(C=C(C=C6)O)OC	PRFNZHGCOFIZAC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Brosimum rubescens	482.53	6.0683	-5.81	6	2	3	85.22
Palodesangren D	10005461	CDB0191	C30H26O6	CC1=CC2C(C(C1)C3=C(C=C(C=C3)O)OC)C(OC4=C2C=C5C=CC(=O)OC5=C4)C6=CC=C(C=C6)O	YECGSLHMDGBPTB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Brosimum rubescens	482.53	6.0683	-5.81	6	2	3	85.22
Palodesangren A	10696654	CDB0192	C30H26O7	CC1=CC2C(C(C1)C3=CC(=C(C=C3)O)O)C(OC4=C2C=C5C=CC(=O)OC5=C4)C6=C(C=C(C=C6)O)OC	AAEFZQHINRCTBX-UHFFFAOYSA-N	7-Oxygenated Coumarins	Brosimum rubescens	498.529	5.7226	-5.514	7	3	3	105.45
Palodesangren B	10648988	CDB0193	C30H26O7	CC1=CC2C(C(C1)C3=C(C=C(C=C3)O)OC)C(OC4=C2C=C5C=CC(=O)OC5=C4)C6=CC(=C(C=C6)O)O	VKFBYVPUKNMLSC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Brosimum rubescens	498.529	5.7226	-5.514	7	3	3	105.45
Palodesangren E	10255841	CDB0194	C31H28O7	CC1=CC2C(C(C1)C3=C(C=C(C=C3)O)OC)C(OC4=C2C=C5C=CC(=O)OC5=C4)C6=C(C=C(C=C6)O)OC	BKCPZBIJQGQCCP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Brosimum rubescens	512.556	5.9983	-5.828	7	2	4	94.45
Xanthyletin	65188	CDB0195	C14H12O3	CC1(C=CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	QOTBQNVNUBKJMS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Xanthoxylum americanum	228.246	2.5241	-3.629	3	0	0	35.53
Gynurone	101326878	CDB0196	C19H20O5	CC1CC2C(C1O)C(=O)C(C3=C(O2)C=C4C(=C3)C=CC(=O)O4)(C)C	ZRASJWQDWXPKAD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Gynura crepioides	328.363	2.2098	-4.241	5	1	0	72.83
Murrayacarpin A	1051542	CDB0197	C11H10O4	COC1=C(C2=C(C=C1)C=CC(=O)O2)CO	LKHUOTSOCUDANT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya paniculata	206.196	0.8301	-2.272	4	1	2	55.76
Paniculal	11275724	CDB0198	C11H8O4	COC1=C(C2=C(C=C1)C=CC(=O)O2)C=O	AOXODSXRUFTUGB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya paniculata	204.181	1.3607	-2.712	4	0	2	52.6
Kiyomal	14184382	CDB0199	C12H10O4	COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=O	UIIMGHCYYQVNIS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus unshiu x C. sinensis x C. iyo	218.207	1.0479	-2.599	4	0	3	52.6
Isomurralonginol Acetate	13917402	CDB0200	C17H18O5	CC(=C)C(COC(=O)C)C1=C(C=CC2=C1OC(=O)C=C2)OC	KJRYZFDEVYMOEY-ZDUSSCGKSA-N	7-Oxygenated Coumarins	Murraya exotica	302.325	3.0476	-3.495	5	0	6	61.83
Isomurralonginol Isovalerate	45359775	CDB0201	C20H24O5	CC(C)CC(=O)OCC(C1=C(C=CC2=C1OC(=O)C=C2)OC)C(=C)C	CSGAUVGJICYHPH-HNNXBMFYSA-N	7-Oxygenated Coumarins	Murraya paniculata	344.406	4.1747	-4.195	5	0	8	61.83
Murralongin	179620	CDB0202	C15H14O4	CC(=C(C=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C	PBAZKMWQUBDDLZ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya elongata	258.272	2.2058	-2.857	4	0	3	52.6
Citrusal	5319433	CDB0203	C15H16O4	CC(C)(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C=O	VCYVDHAWDPDCKW-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	260.288	2.2864	-3.206	4	0	4	52.6
Microminutin	5319827	CDB0204	C15H12O5	CC1=C(C(=O)OC1)C2=C(C=CC3=C2OC(=O)C=C3)OC	AZYVCLJYWIHOAD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Micromelum minutum	272.255	1.1676	-2.598	5	0	2	61.83
Osthenol	5320318	CDB0205	C14H14O3	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C	RAKJVIPCCGXHHS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica archangelica	230.262	3.1742	-3.013	3	1	2	46.53
Osthol	10228	CDB0206	C15H16O3	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C	MBRLOUHOWLUMFF-UHFFFAOYSA-N	7-Oxygenated Coumarins	Imperatoria ostruthium	244.289	3.4499	-3.327	3	0	3	35.53
Ramosin	363268	CDB0207	C36H32O13	CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=CC(=C3O)C5(C6=C(C(=CC=C6)O)C(=O)C7=C5C=C(C=C7O)C)O	RYMXHLGOQKJLJM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Haplophyllum ramosissimum	672.637	1.7055	-5.263	13	10	3	245.67
Myrsellin	188480	CDB0208	C19H22O4	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OCC3C(O3)(C)C)C	XHFJLTKCCPBDNN-INIZCTEOSA-N	7-Oxygenated Coumarins	Myrtopsis sellingii	314.38	3.6884	-3.959	4	0	5	48.06
Myrsellinol	188481	CDB0209	C19H24O5	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OCC(C(C)(C)O)O)C	WCRIXDCUKSRGRM-INIZCTEOSA-N	7-Oxygenated Coumarins	Myrtopsis sellingii	332.395	3.102	-3.478	5	2	6	75.99
Vellein	447275638	CDB0210	C20H24O8	CC(C)=CCC1=C2OC(=O)C=CC2=CC=C1OC1OC(CO)C(O)C(O)C1O	QPAYBYCPZSAASE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Velleia discophora	392.403	1.1849	-2.899	8	4	5	125.68
Cis-Dehydroosthol	13917397	CDB0211	C15H14O3	CC(=C)C=CC1=C(C=CC2=C1OC(=O)C=C2)OC	PJCYDTKNZVGNGP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya exotica	242.273	3.3933	-3.629	3	0	3	35.53
Auraptenol	13343540	CDB0212	C15H16O4	CC(=C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O	SQSRYWNOKPJENY-LBPRGKRZSA-N	7-Oxygenated Coumarins	Citrus aurantium	260.288	2.4948	-3.095	4	1	4	55.76
Murraol	15593213	CDB0213	C15H16O4	CC(C)(C=CC1=C(C=CC2=C1OC(=O)C=C2)OC)O	MDKAWXCQYALXRL-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya exotica	260.288	2.3312	-3.276	4	1	3	55.76
Phebalosin	188300	CDB0214	C15H14O4	CC(=C)C1C(O1)C2=C(C=CC3=C2OC(=O)C=C3)OC	YTDNHMHONBWCBV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Phebalium tuberculosum	258.272	2.346	-3.028	4	0	3	48.06
Meranzin (Aurapten)	1803558	CDB0215	C15H16O4	CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OC)C	LSZONYLDFHGRDP-LBPRGKRZSA-N	7-Oxygenated Coumarins	Citrus aurantium	260.288	2.0191	-3.223	4	0	3	48.06
Poncimarin	53909371	CDB0216	C19H22O5	CC1(C(O1)CC2=C(C=CC3=C2OC(=O)C=C3)OCC4C(O4)(C)C)C	ICRMRGFEHCUSRS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Poncirus trifoliata	330.379	2.2576	-3.855	5	0	5	60.59
Micropubescin	14185882	CDB0217	C15H14O4	CC(=C)CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC	JNSXMHXBHMBHCB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Micromelum pubescens	258.272	2.6283	-3.675	4	0	4	52.6
Isomeranzin	473252	CDB0218	C15H16O4	CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC	OMOYQLRHKFGVGN-UHFFFAOYSA-N	7-Oxygenated Coumarins	Skimmia japonica	260.288	2.261	-3.243	4	0	4	52.6
Anisocoumarin E	14376446	CDB0219	C19H22O4	CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC=C(C)C	XWQPFCRDLSVCLK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena anisata	314.38	3.9303	-3.979	4	0	6	52.6
Isoponcimarin	49767686	CDB0220	C19H22O5	CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC3C(O3)(C)C	GQNWYSYOSQOHAT-INIZCTEOSA-N	7-Oxygenated Coumarins	Poncirus trifoliata	330.379	2.4995	-3.875	5	0	6	65.13
Triphasiol	157953	CDB0221	C19H24O6	CC(C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OCC(C(C)(C)O)O	DMSHDRKZHASQRO-INIZCTEOSA-N	7-Oxygenated Coumarins	Triphasia trifohata	348.394	1.9131	-3.394	6	2	7	93.06
Murrayone	5319964	CDB0222	C15H14O4	CC(=C)C(=O)CC1=C(C=CC2=C1OC(=O)C=C2)OC	IISMOXLSZASLDD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya exotica	258.272	2.4636	-3.146	4	0	4	52.6
Murrangatin	389002	CDB0223	C15H16O5	CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	DKEANOQWICTXTP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya elongata	276.287	1.4247	-2.547	5	2	4	75.99
Minumicrolin (Murpanidin)	6426907	CDB0224	C15H16O5	CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	DKEANOQWICTXTP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Micromelum minutum	276.287	1.4247	-2.547	5	2	4	75.99
( - )-Murracarpin	14102500	CDB0225	C16H18O5	CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC)O	DBPWCIPDCMVUFT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya paniculata	290.314	1.8526	-2.675	5	1	5	64.99
Albiflorin-3	5319464	CDB0226	C16H18O5	CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC)O	DBPWCIPDCMVUFT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Boenninghausenia albiflora	290.314	1.8526	-2.675	5	1	5	64.99
Murpanicin (Murraxocin)	188750	CDB0227	C17H20O5	CCOC(C1=C(C=CC2=C1OC(=O)C=C2)OC)C(C(=C)C)O	GDLSTIJVZWVVPB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya paniculata	304.341	2.2589	-2.975	5	1	6	64.99
Chloculol	183084	CDB0228	C15H15O4Cl	CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)Cl)O	HROGOCUMIJWOHN-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya panicuiata	294.733	3.1411	-3.487	4	1	4	55.76
Tortuoside	5491576	CDB0229	C20H26O10	CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O	NXXWVYSMCQDTBE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli tortuosum	426.416	-0.6801	-2.128	10	6	6	166.14
Murrayatin	621354	CDB0230	C20H26O6	CC(C)CC(=O)OC(CC1=C(C=CC2=C1OC(=O)C=C2)OC)C(C)(C)O	XAKVHDMPRFGESG-INIZCTEOSA-N	7-Oxygenated Coumarins	Murraya exotica	362.42	3.0444	-3.852	6	1	8	82.06
Pranferin	274875866	CDB0231	C18H22O5	COc1ccc2ccc(=O)oc2c1CC1OC(C)(C)OC1(C)C	LVWSCHXVZZOBOU-AWEZNQCLSA-N	7-Oxygenated Coumarins	Prangos ferulacea	318.368	2.6297	-3.712	5	0	3	53.99
Yuehgesin-C	5319451	CDB0232	C17H22O5	CCOC(C)(C)C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O	ZEJUDJOXRYEYKX-AWEZNQCLSA-N	7-Oxygenated Coumarins	Murraya paniculata	306.357	2.2669	-3.17	5	1	6	64.99
Ferudiol	101311668	CDB0233	C19H22O5	CC(=CC(=O)C(CC1=C(C=CC2=C1OC(=O)C=C2)O)C(C)(C)O)C	KVUCPAUFSGZYHK-CQSZACIVSA-N	7-Oxygenated Coumarins	Prangos ferulacea	330.379	3.0615	-3.345	5	2	5	83.83
Casegravol	6440521	CDB0234	C15H16O5	CC(CO)(C=CC1=C(C=CC2=C1OC(=O)C=C2)OC)O	XVVRFNCLKCYMPH-OAHLLOKOSA-N	7-Oxygenated Coumarins	Casearia graveolens	276.287	1.4045	-2.769	5	2	4	75.99
Dioxinoacrimarine-A	131752932	CDB0235	C29H23NO8	CC1(COC2=C(O1)C=CC3=C2N(C4=C(C3=O)C(=CC(=C4)OC)O)C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O	AEXHLHGCDOTWGS-GDLZYMKVSA-N	7-Oxygenated Coumarins	Citrus paradisi x C. tangerina	513.501	4.5719	-7.075	9	2	3	114.76
Murpaniculol	13917414	CDB0236	C20H22O6	CC(C)C(=O)C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC(=O)C=C(C)C	DKKNKODNHDPWFD-HXUWFJFHSA-N	7-Oxygenated Coumarins	Murraya paniculata	358.389	2.9385	-3.541	6	0	7	78.9
Hainanmurpanin	5317952	CDB0237	C17H18O6	CC(C)C(=O)C(C1=C(C=CC2=C1OC(=O)C=C2)OC)OC(=O)C	VLHOVPZUSXEINR-QGZVFWFLSA-N	7-Oxygenated Coumarins	Murraya paniculata	318.324	1.6755	-3.105	6	0	6	78.9
Paniculatin	169419	CDB0238	C27H30O15	C1=CC(=CC=C1C2=COC3=C(C(=C(C(=C3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O	ISNRVVKKHPECQN-UHFFFAOYSA-N	7-Oxygenated Coumarins	Murraya paniculata	594.52	-3.2002	-1.553	15	11	5	267.29
Marshrin	15380805	CDB0239	C15H14O6	CC12C(O1)C(OC2O)C3=C(C=CC4=C3OC(=O)C=C4)OC	VUIRVFUCVWAGFV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	290.27	0.6277	-2.463	6	1	2	77.52
Versicolin	197042	CDB0240	C7H8O3	CC1=C(C=CC(=C1O)O)O	WPFZLGOGWVNEID-UHFFFAOYSA-N	7-Oxygenated Coumarins	Haplophyllum versicolor	140.138	0.9664	-1.072	3	3	0	60.69
Pummeloquinone	10429580	CDB0241	C22H16O6	CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=CC4=C3OC(=O)C=C4)OC	GPGGGLOHXPWGDO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus grandis x C. paradisi	376.363	3.1384	-6.103	6	0	3	78.9
Angenomalin (Masquin)	5318874	CDB0242	C14H12O3	CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	WLRXMMDATRQQNQ-GFCCVEGCSA-N	7-Oxygenated Coumarins	Angelica anomala	228.246	2.9232	-3.448	3	0	1	35.53
(-)-Columbianetin	442104	CDB0243	C14H14O4	CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	YRAQEMCYCSSHJG-LLVKDONJSA-N	7-Oxygenated Coumarins	Xanthoxylum arnottianum	246.261	1.8611	-3.095	4	1	1	55.76
Columbianetin (Zosimol)	92201	CDB0244	C14H14O4	CC(C)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	YRAQEMCYCSSHJG-LLVKDONJSA-N	7-Oxygenated Coumarins	Angelica laxiflora	246.261	1.8611	-3.095	4	1	1	55.76
Columbianin	6436246	CDB0245	C19H20O5	CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	JRIBPWOXWIRQOQ-OAHLLOKOSA-N	7-Oxygenated Coumarins	Lomatium columbianurn	328.363	3.6087	-3.941	5	0	4	61.83
Cnidiadin	101937463	CDB0246	C18H20O5	CC(C)C(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	JBQHVGSHZLWWDC-CQSZACIVSA-N	7-Oxygenated Coumarins	Cnidium japonicum	316.352	3.0184	-3.935	5	0	4	61.83
Columbianadin-Oxide	90472905	CDB0247	C19H20O6	CC1C(O1)(C)C(=O)OC(C)(C)C2CC3=C(O2)C=CC4=C3OC(=O)C=C4	IXNCVCIGMCYBDD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum palustre	344.362	2.1779	-3.837	6	0	4	74.36
Libanorin	442135	CDB0248	C19H20O5	CC(=CC(=O)OC(C)(C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)C	YCXXSERNLQPDHF-OAHLLOKOSA-N	7-Oxygenated Coumarins	Libanotis schrenkiana	328.363	3.6087	-3.941	5	0	4	61.83
Sachalinin	14490542	CDB0249	C14H12O4	C=C(CO)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3	ARAUKEDJUANTKU-GFCCVEGCSA-N	7-Oxygenated Coumarins	Angelica sachalinensis	244.245	1.9965	-2.941	4	1	2	55.76
Vaginidiol	11817856	CDB0250	C14H14O5	CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O	DQISGWRLCDLKJI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Selinurn vaginaturn	262.26	1.1351	-2.547	5	2	1	75.99
Vaginidin	12299857	CDB0251	C19H22O6	CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)O	VKTNFVWVAQYYBV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Selinurn vaginaturn	346.378	2.7468	-3.657	6	1	5	82.06
Apterin	57459455	CDB0252	C20H24O10	CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O	ALEQYOXVXJKFOM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Zizia aptera	424.401	-0.702	-2.247	10	5	4	155.14
Edulisin Iv	101670869	CDB0253	C19H20O7	CCC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C	YPBNKPNGOBYSJH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis	360.361	2.5587	-3.637	7	0	6	88.13
Cniforin A	15553295	CDB0254	C20H22O7	CC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C	GUWOWSAGEMNEHI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Cnidium japonicum	374.388	2.777	-3.797	7	0	6	88.13
Edulisin Iii	91736606	CDB0255	C21H24O7	CCC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C	UBLBUWKMSDCDLT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis	388.415	3.2314	-4.067	7	0	7	88.13
Edultin (Cnidimin)	348285972	CDB0256	C21H22O7	CC=C(C)C(=O)OC1C(OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(C)=O	FFCDTHIJWHJUQJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis Cnidium	386.399	3.3673	-3.803	7	0	6	88.13
Daucoidin A	56776196	CDB0257	C19H20O6	CC=C(C)C(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O	GZAQAICYIHWIAX-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ligusticum daucoides	344.362	2.8827	-3.393	6	1	4	82.06
Edulisin V	101670870	CDB0258	C24H28O7	CCC(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C	OQNKRWQPITVLBZ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis	428.479	4.4944	-4.503	7	0	8	88.13
Archangelicin	5281371	CDB0259	C24H26O7	CC=C(C)C(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C(=CC)C	RVGGCRQPGKFZDS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica archangelica ssp. litoralis	426.463	4.6303	-4.239	7	0	7	88.13
Angeladin	12306792	CDB0260	C28H26O8	CC=C(C)C(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C=CC4=CC=C(C=C4)O	JWFIGGMKUFMHTM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica longeradiata	490.506	4.7946	-5.047	8	1	8	108.36
Athamantin	442051	CDB0261	C24H30O7	CC(C)CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)CC(C)C	KPLBOWKEQXYXSD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Athamanta oreoselinum	430.495	4.3585	-4.767	7	0	9	88.13
Peucenidin	442137	CDB0262	C21H22O7	CC(=CC(=O)OC(C)(C)C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC(=O)C)C	YTLKDGZSNPIHNO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum oreoselinum	386.399	3.3673	-3.803	7	0	6	88.13
Edulisin Ii	76801427	CDB0263	C24H26O7	CC(=CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C=C(C)C)C	QMDNUCYGVSWWRO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis	426.463	4.6303	-4.239	7	0	7	88.13
Edulisin I	131751055	CDB0264	C28H26O8	CC(=CC(=O)OC1C(OC2=C1C3=C(C=C2)C=CC(=O)O3)C(C)(C)OC(=O)C=CC4=CC=C(C=C4)O)C	JZZJEBOMWXWTEY-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis	490.506	4.7946	-5.047	8	1	8	108.36
Hermandiol (Angelidiol A)	5318019	CDB0265	C14H14O5	CC(CO)(C1CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	QWQZTILKTKQJTA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Heracleum mantegazzianum	262.26	0.9344	-2.588	5	2	2	75.99
Neoacrimarine-K	10626660	CDB0266	C31H29NO9	CC(C)(C1C(C2=C(O1)C=CC3=C2OC(=O)C=C3)C4=C(C=C(C5=C4N(C6=C(C5=O)C=CC(=C6OC)OC)C)O)OC)O	XRRKNHPPSZSNHE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	559.569	3.7106	-7.072	10	2	5	123.99
Angelicin (Isopsoralen)	10658	CDB0267	C11H6O3	C1=CC2=C(C=CO2)C3=C1C=CC(=O)O3	XDROKJSWHURZGO-UHFFFAOYSA-N	7-Oxygenated Coumarins	Archangelica officinalis	186.166	1.949	-3.529	3	0	0	39.44
Oroselone (Kvannin)	74477	CDB0268	C14H10O3	CC(=C)C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3	FQCPXIJRWHRHIP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum oreoselinum	226.23	2.9263	-4.087	3	0	1	39.44
Oroselol	160600	CDB0269	C14H12O4	CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)O	KDJVHSVOXOZBDR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum oreoselinum	244.245	2.2789	-3.922	4	1	1	59.67
Archangin	131751058	CDB0270	C15H14O4	CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC	ZTUJKPWRKVDGPL-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica archangelica	258.272	2.7068	-4.05	4	0	2	48.67
Edulisin Vi	131753091	CDB0271	C20H22O9	CC(C)(C1=CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O	RGKKEFIQHJTNIY-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica edulis	406.386	0.4418	-3.622	9	4	4	138.82
Lomatin (Libanotin A)	600670	CDB0272	C14H14O4	CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)O)C	UJSHBYQGQRPVNO-LLVKDONJSA-N	7-Oxygenated Coumarins	Lomatium nuttalliiLibanotis buchtormensis	246.261	1.8358	-3.095	4	1	0	55.76
Praeroside Iv	44144278	CDB0273	C20H24O9	CC1(C(CC2=C(O1)C=CC3=C2OC(=O)C=C3)OC4C(C(C(C(O4)CO)O)O)O)C	BPBRRMGZTUDRDI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	408.402	-0.0012998	-2.795	9	4	3	134.91
Selinidin (Jatamansin)	668081	CDB0274	C19H20O5	CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C	RRHCDWLSHIIIIT-OAHLLOKOSA-N	7-Oxygenated Coumarins	Selinum vaginatum	328.363	3.5834	-3.941	5	0	3	61.83
Nuttallin	12313622	CDB0275	C19H20O5	CC(=CC(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)C	TUNHPCYKZAZELC-OAHLLOKOSA-N	7-Oxygenated Coumarins	Lomatium nuttallii	328.363	3.5834	-3.941	5	0	3	61.83
(? )-Selinidin	511786	CDB0276	C19H20O5	CC=C(C)C(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C	RRHCDWLSHIIIIT-OAHLLOKOSA-N	7-Oxygenated Coumarins	Peucedanum turgeniifolium	328.363	3.5834	-3.941	5	0	3	61.83
( + )-Cis-Khellactone	455821	CDB0277	C14H14O5	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C	HKXQUNNSKMWIKJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli gummiferum	262.26	1.1098	-2.547	5	2	0	75.99
Qianhucoumarin A	5320810	CDB0278	C19H20O6	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O	QPLSCFLMIOADPA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	344.362	2.8574	-3.393	6	1	3	82.06
Laserpitin	5281524	CDB0279	C25H38O7	CC=C(C)C(=O)OC1CC(C(=O)C(C2(C1C(CC2)(C(C)C)O)C)OC(=O)C(=CC)C)(C)O	LYTPVRMVQVQYGM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Laserpitium archangelica	450.57	3.96	-3.669	7	2	7	110.13
Campestrinoside	97182273	CDB0280	C20H24O10	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)C	QAUDHOGPLBDVAX-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli campestre	424.401	-0.7273	-2.247	10	5	3	155.14
Hyuganin D	10317265	CDB0281	C20H22O7	CC(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	BUTUNJHEBGRWGK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica furcijuga	374.388	2.7517	-3.797	7	0	5	88.13
Hyuganin C	100946026	CDB0282	C21H24O7	CC(COC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C)C(=O)C	GMHDTFBUYSRCCK-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica furcijuga	388.415	2.5027	-3.737	7	0	6	88.13
Pteryxin	5281425	CDB0283	C21H22O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	LYUZYPKZQDYMEE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Pteryxia terebenthina var. terebenthina	386.399	3.342	-3.803	7	0	5	88.13
Suksdorfin	72414	CDB0284	C21H24O7	CC(C)CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	KLUTZDJBVDPOFE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Lomatium suksdorji	388.415	3.2061	-4.067	7	0	6	88.13
Isosamidin	442133	CDB0285	C21H22O7	CC(=CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C)C	VPDWBGHNQKUFNN-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli libanotis	386.399	3.342	-3.803	7	0	5	88.13
Visnadin	442151	CDB0286	C21H24O7	CCC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	GVBNSPFBYXGREE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Amni visnaga	388.415	3.2061	-4.067	7	0	6	88.13
Hyuganin B	10319604	CDB0287	C23H26O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C(C)C	NMJFVCKFWDELPC-UHFFFAOYSA-N	7-Oxygenated Coumarins	Musineon divaricatumAngelica furcijuga	414.452	4.0147	-4.233	7	0	6	88.13
Hyuganin A	9980000	CDB0288	C24H28O7	CCC(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C	GRWOJBMSRFQRMT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica furcijuga	428.479	4.4691	-4.503	7	0	7	88.13
Anomalin	10251869	CDB0289	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C	PNTWXEIQXBRCPS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica anomala	426.463	4.605	-4.239	7	0	6	88.13
Calipteryxin	15945070	CDB0290	C24H26O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C=C(C)C	WKQRMUACBRBLQV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Pteryxia terebinthina	426.463	4.605	-4.239	7	0	6	88.13
Isoepoxypteryxin	442130	CDB0291	C21H22O8	CC1C(O1)(C)C(=O)OC2C(C3=C(C=CC4=C3OC(=O)C=C4)OC2(C)C)OC(=O)C	JATBXVRRSYYPIL-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica jurcijuga	402.398	1.9112	-3.699	8	0	5	100.66
Campestrol	173183	CDB0292	C28H48O	CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C	SGNBVLSWZMBQTH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli campestre	400.688	7.4008	-6.399	1	1	5	20.23
Dihydrosamidin	442128	CDB0293	C21H24O7	CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	ALKTVPFKDYZFGA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ammi visnaga	388.415	3.2061	-4.067	7	0	6	88.13
Samidin	442150	CDB0294	C21H22O7	CC(=CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C)C	FNVCLGWRMXTDSM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ammi visnaga	386.399	3.342	-3.803	7	0	5	88.13
(-)-Trans-Khellactone	9992853	CDB0295	C14H14O5	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C	HKXQUNNSKMWIKJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica purpureafolia	262.26	1.1098	-2.547	5	2	0	75.99
Junosmarin	14055878	CDB0296	C19H22O6	CC(C)CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O	GWZZKJQYTUFZHD-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus junos	346.378	2.7215	-3.657	6	1	4	82.06
Peucedanocoumarin Iii	1032882	CDB0297	C21H22O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	LYUZYPKZQDYMEE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	386.399	3.342	-3.803	7	0	5	88.13
Peucedanocoumarin Ii	5434471	CDB0298	C21H22O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	LYUZYPKZQDYMEE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	386.399	3.342	-3.803	7	0	5	88.13
Peucedanocoumarin I	12314635	CDB0299	C21H24O7	CCC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	GVBNSPFBYXGREE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	388.415	3.2061	-4.067	7	0	6	88.13
Qianhucoumarin H	13592771	CDB0300	C24H28O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C	UFUVJROSOIXJGR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	428.479	4.4691	-4.503	7	0	7	88.13
(-)-Cis-Khellactone	11097348	CDB0301	C14H14O5	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C	HKXQUNNSKMWIKJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum japonicum	262.26	1.1098	-2.547	5	2	0	75.99
Qianhucoumarin C	196741	CDB0302	C16H16O6	CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O	IPUBQCBQSUVXEV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	304.297	1.5944	-2.957	6	1	2	82.06
D-Laserpitin	51396729	CDB0303	C19H20O6	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O	QPLSCFLMIOADPA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum zhongdianensis	344.362	2.8574	-3.393	6	1	3	82.06
Qianhucoumarin B	197634	CDB0304	C16H16O6	CC(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O	WGBFEDHNTNVZGG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	304.297	1.5944	-2.957	6	1	2	82.06
Qianhucoumarin I	1150979	CDB0305	C21H22O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	LYUZYPKZQDYMEE-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	386.399	3.342	-3.803	7	0	5	88.13
(+ )-Praeruptorin A	38347601	CDB0306	C21H22O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	XGPBRZDOJDLKOT-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	386.399	3.342	-3.803	7	0	5	88.13
Floroselin	101316943	CDB0307	C23H24O7S	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C=CSC	VZCQZASXHFXLSM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli sessiliflorum	444.503	3.6541	-4.394	7	0	7	113.43
(+)-Anomalin	6450453	CDB0308	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C	PNTWXEIQXBRCPS-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum formosanum	426.463	4.605	-4.239	7	0	6	88.13
Praeruptorin E	6440581	CDB0309	C24H28O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C	UFUVJROSOIXJGR-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	428.479	4.4691	-4.503	7	0	7	88.13
Peuformosin	101289691	CDB0310	C24H26O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C=C(C)C	WKQRMUACBRBLQV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum formosanum	426.463	4.605	-4.239	7	0	6	88.13
Peujaponisinol A	101049705	CDB0311	C19H20O5	CC(=CC(=O)OC1CC2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)C	TUNHPCYKZAZELC-OAHLLOKOSA-N	7-Oxygenated Coumarins	Peucedanum japonicum	328.363	3.5834	-3.941	5	0	3	61.83
Peujaponisin	10342527	CDB0312	C24H28O7	CC(C)CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C=C(C)C	BOMPXBBNKNYVGU-UHFFFAOYSA-N	7-Oxygenated Coumarins	Peucedanum japonicum	428.479	4.4691	-4.503	7	0	7	88.13
Neoacrimarine J	10506059	CDB0313	C28H23NO9	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)O)O)C	LCGFAZIBUURPDA-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	517.489	3.6891	-6.022	10	4	3	143.78
Neoacrimarine I	10697534	CDB0314	C29H25NO9	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4NC6=C(C5=O)C(=CC(=C6)OC)O)OC)O)C	MHUAXBOYNZWGTG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	531.516	3.9648	-6.336	10	3	4	132.78
Neoacrimarine G	101712521	CDB0315	C29H25NO8	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=CC=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)C	MNOCITGIWBOSNH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	515.516	4.1009	-6.796	9	2	3	114.76
Neoacrimarine F	101712520	CDB0316	C29H25NO9	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)OC4=C(C=CC5=C4N(C6=C(C5=O)C(=CC(=C6)OC)O)C)O)O)C	VMABFFUJXPHEJX-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi x C. tangerina	531.516	3.7552	-6.5	10	3	3	134.99
Neoacrimarine H	10507216	CDB0317	C33H29NO8	CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4OC5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)C)O)C	KYDGDSAPWLVOME-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus paradisi	567.592	5.1976	-8.037	9	2	2	114.76
Neoacrimarine C	101696940	CDB0318	C33H31NO7	CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3)C=CC(=C4C5C(C(OC6=C5C7=C(C=C6)C=CC(=O)O7)(C)C)O)O)C)O)C	PRNXRICNFQLLPG-UHFFFAOYSA-N	7-Oxygenated Coumarins	Citrus hassaku	553.609	5.0783	-7.592	8	3	1	108.69
Bocconin	12048031	CDB0319	C20H22O7	CC(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	RBYMMRNOMSMIHJ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Seseli bocconi	374.388	2.7517	-3.797	7	0	5	88.13
Cartilaginomarginadin	188766	CDB0320	C21H22O8	CC1C(O1)(C)C(=O)OC2C(C3=C(C=CC4=C3OC(=O)C=C4)OC2(C)C)OC(=O)C	JATBXVRRSYYPIL-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica cartilaginomarginata var. foliata	402.398	1.9112	-3.699	8	0	5	100.66
Praeruptorin F	51668830	CDB0321	C19H20O6	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)O	KJWFOHVSTFGWGZ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Angelica cartilaginomarginata var. foliata	344.362	2.8574	-3.393	6	1	3	82.06
Qianhucoumarin E	131676021	CDB0322	C19H18O6	CC=C(C)C(=O)OC1C(=O)C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C	PGOMXBOHQUBUMI-KRWDZBQOSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	342.346	3.0326	-4.122	6	0	3	78.9
Pd-Ib	51136479	CDB0323	C19H18O6	CC=C(C)C(=O)OC1C(=O)C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C	PGOMXBOHQUBUMI-KRWDZBQOSA-N	7-Oxygenated Coumarins	Peucedanum praeruptorum	342.346	3.0326	-4.122	6	0	3	78.9
Seselin (Amyrolin)	68229	CDB0324	C14H12O3	CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)C	QUVCQYQEIOLHFZ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Amyris balsamiferaSkimmia repensSeseli indicum	228.246	2.5241	-3.629	3	0	0	35.53
Armillarisin A	5320192	CDB0325	C12H10O5	CC(=O)C1=CC2=C(C=C(C=C2OC1=O)O)CO	XVZWWNMZVZWQKU-UHFFFAOYSA-N	7-Oxygenated Coumarins	Armillariella tabescens	234.206	0.396	-2.004	5	2	2	83.83
Balsamiferone	44521069	CDB0326	C19H22O3	CC(=CCC1=CC2=CC(=C(C=C2OC1=O)O)CC=C(C)C)C	DTWBKFLILHBTHQ-UHFFFAOYSA-N	7-Oxygenated Coumarins	Amyris balsamifera	298.381	5.3318	-3.843	3	1	4	46.53
Swietenocoumarin I	14259055	CDB0327	C20H26O5	CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)OC)CC(C(C)(C)O)O	JMIHHZJRBXJKLS-KRWDZBQOSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	346.421	3.3803	-3.682	5	2	6	75.99
Exo-Dehydrochalepin	14135678	CDB0328	C19H20O3	CC(=C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C	VSCRFQYWCSFUIR-OAHLLOKOSA-N	7-Oxygenated Coumarins	Ruta graveolens	296.365	4.8708	-4.388	3	0	3	35.53
Chalepin(Rutamarin Alcohol)	119066	CDB0329	C19H22O4	CC(C)(C=C)C1=CC2=CC3=C(C=C2OC1=O)OC(C3)C(C)(C)O	JCDLLLXYAICSQV-MRXNPFEDSA-N	7-Oxygenated Coumarins	Ruta chalepensisRuta graveolens	314.38	3.8087	-4.035	4	1	3	55.76
Rutamarin	26948	CDB0330	C21H24O5	CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C	AWMHMGFGCLBSAY-GOSISDBHSA-N	7-Oxygenated Coumarins	Ruta chalepensisRuta graveolens	356.417	4.2933	-4.445	5	0	5	61.83
Chalepensin (Xylotenin)	128834	CDB0331	C16H14O3	CC(C)(C=C)C1=CC2=C(C=C3C(=C2)C=CO3)OC1=O	FYCCCUNGXGKNJV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Ruta chalepensisChloroxylon swietenia	254.284	3.8966	-4.469	3	0	2	39.44
Clausindine (Rutolide)	170935	CDB0332	C16H14O3	CC1(CC1C2=CC3=C(C=C4C(=C3)C=CO4)OC2=O)C	IXLICOBIKMGSAV-GFCCVEGCSA-N	7-Oxygenated Coumarins	Ruta montanaClausena indica	254.284	3.3081	-4.506	3	0	1	39.44
Pachyrrhizin	101277	CDB0333	C19H12O6	COC1=CC2=C(C=C1C3=CC4=C(C=C5C(=C4)C=CO5)OC3=O)OCO2	PENSQRMNZZWMGV-UHFFFAOYSA-N	7-Oxygenated Coumarins	Pachyrrhizus erosus	336.298	3.2456	-5.215	6	0	2	67.13
Shijiaocaolactone A	164135	CDB0334	C24H30O5	CC(C)CC1(C(CC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C(C)(C)C=C)OC(=O)C)C	MAFRBYJWZZFXHI-UHFFFAOYSA-N	7-Oxygenated Coumarins	Boenninghausenia sessilicarpara	398.497	5.3951	-5.145	5	0	6	61.83
Clausmarin A	49940	CDB0335	C24H30O5	CC12CCC(OC1CC3=C(O2)C=C4C(=C3)C=C(C(=O)O4)C(C)(C)C=C)C(C)(C)O	KQYZOQQWBTXSDF-UHFFFAOYSA-N	7-Oxygenated Coumarins	Clausena pentaphylla	398.497	4.3249	-4.907	5	1	3	64.99
Obtusifolin	3083575	CDB0336	C16H12O5	CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=CC=C3O	NYRXUBDGDSRBGB-UHFFFAOYSA-N	7-Oxygenated Coumarins	Haplophyllum obtusifolium	284.266	2.6159	-4.5	5	2	1	83.83
Licocoumarin A	5324358	CDB0337	C25H26O5	CC(=CCC1=C(C=CC(=C1O)C2=CC3=C(C(=C(C=C3)O)CC=C(C)C)OC2=O)O)C	UAGJZOLUSRCDEP-UHFFFAOYSA-N	7-Oxygenated Coumarins	Glycyrrhiza glabra	406.476	5.7605	-4.317	5	3	5	86.99
Inflacoumarin A	50218733	CDB0338	C20H18O4	CC(=CCC1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=C(C=C3)O)C	RNBLSJGPSGNSIN-UHFFFAOYSA-N	7-Oxygenated Coumarins	Glycyrrhiza infiata	322.359	4.3266	-3.922	4	2	3	66.76
Necatorin	135554414	CDB0339	C15H8N2O3	C1=CC=C2C(=C1)C3=C(C4=C(C=C3O)OC(=O)C=C4)N=N2	WNQBVKOXDIYRFH-UHFFFAOYSA-N	7-Oxygenated Coumarins	Lactarias necator	264.24	1.9557	-3.83	5	1	0	72.31
Swietenone	85847512	CDB0340	C16H14O4	CC(C)(C)C(=O)C1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	JNRHTGMSAIBCNM-UHFFFAOYSA-N	7-Oxygenated Coumarins	Chloroxylon slvietenia	270.283	3.0587	-4.82	4	0	2	56.51
Swietenocoumarin A	71439313	CDB0341	C16H14O3	CC(=CCC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	QDZRRYXCAAHVGW-UHFFFAOYSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	254.284	3.9715	-4.468	3	0	2	39.44
Swietenocoumarin H	26211019	CDB0342	C16H14O4	CC(C)(C=CC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O	YCWBXVBPBPUAQF-UHFFFAOYSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	270.283	2.8528	-4.417	4	1	2	59.67
Swietenocoumarin C	71439314	CDB0343	C16H14O4	CC1(C(O1)CC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C	AVWKADSPKOONAC-LBPRGKRZSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	270.283	2.5407	-4.364	4	0	2	51.97
Swietenocoumarin E	57509410	CDB0344	C16H16O5	CC(C)(C(CC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O	MNHMQMCKMMXJMO-LBPRGKRZSA-N	7-Oxygenated Coumarins	Chloroxylon swietenia	288.298	1.9543	-3.883	5	2	3	79.9
Glaupadiol	44144619	CDB0345	C15H16O5	C[C@H]1[C@](C2=C(O1)C3=C(C=CC(=C3C)O)OC2=O)(C)CO	AMXIALDGAYCNAK-GLEZIHRCSA-N	8-Oxygenated Coumarins	Glaucidium palmalum	276.287	1.614	-2.527	5	2	1	75.99
Ammoresinol	54712597	CDB0346	C24H30O4	CC(=CCCC(=CCCC(=CCC1=C(C2=C(C=C(C=C2)O)OC1=O)O)C)C)C	BRIROITVQMZRGP-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Doreema ammoniacum	382.498	7.2707	-4.389	4	2	8	66.76
Melimessanol B	100956708	CDB0347	C16H12O6	COC1=C(C=CC(=C1)O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O	WSPHMEWGDXSVOV-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Melilotus messanensis	300.265	1.609	-2.286	6	3	2	96.22
Coumestrol	5281707	CDB0348	C15H8O5	C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O	ZZIALNLLNHEQPJ-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Medicago sativa	268.224	2.8407	-4.345	5	2	0	79.9
Coumestrin	45356238	CDB0349	C21H18O10	C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O	JSKGNHCHUPJTOQ-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Glycine max	430.364	0.8514	-4.231	10	5	3	159.05
Isosojagol	16744613	CDB0350	C20H16O5	CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=C3C=CC(=C4)O)O)C	MQKLGUOASGICKG-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Phaseolus coccineus	336.342	4.8632	-5.284	5	2	2	79.9
Bavacoumestan B	5321820	CDB0351	C20H16O6	CC(C)(C1CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)O)O	PUGPPUXRVZRDGR-MRXNPFEDSA-N	4,7-Dioxygenated Coumarins	Psoralea corylifolia	352.341	3.5501	-5.366	6	2	1	89.13
Bavacoumestan A	5321811	CDB0352	C20H16O6	CC1(C(CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)O)O)C	RPMMXKVPBSLSDA-MRXNPFEDSA-N	4,7-Dioxygenated Coumarins	Psoralea corylifolia	352.341	3.5248	-5.366	6	2	0	89.13
Sophoracoumestan A	14630492	CDB0353	C20H14O5	CC1(C=CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)O)C	JOMJKDWBAPDZIF-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Sophora franchetiana	334.326	4.2131	-5.9	5	1	0	68.9
Tuberostan	44257532	CDB0354	C21H16O5	CC1(C=CC2=CC3=C(C=C2O1)OC4=C3C(=O)OC5=C4C=CC(=C5)OC)C	KIFXUUIGSBVTCM-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Pueraria tuberosa	348.353	4.4888	-6.214	5	0	1	57.9
Medicagol	5319322	CDB0355	C16H8O6	C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C(C=C5)O)OC4=O	URMVEUAWRUQHON-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Medicago sativa	296.234	3.2978	-5.352	6	1	0	78.13
Flemichapparin C	11088179	CDB0356	C17H10O6	COC1=CC2=C(C=C1)C3=C(C4=CC5=C(C=C4O3)OCO5)C(=O)O2	ZIZYKBRERUNPAU-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Flemingia chappar	310.26	3.5735	-5.666	6	0	1	67.13
Mirificoumestan	13964266	CDB0357	C21H18O6	CC(=CCC1=C(C(=CC2=C1C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O)OC)C	DLPHHYMGBGKBCN-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Pueraria mirifica	366.368	4.7932	-5.302	6	2	3	89.13
Mirificoumestan Hydrate	13964267	CDB0358	C21H20O7	CC(C)(CCC1=C(C(=CC2=C1C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O)OC)O	TUTUMQZQMWKQLL-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Pueraria mirifica	384.383	3.7978	-5.116	7	3	4	109.36
Mirificoumestan Glycol	13964268	CDB0359	C21H20O8	CC(C)(C(CC1=C(C(=CC2=C1C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)O)OC)O)O	FDDICYCDJLNBGT-HNNXBMFYSA-N	4,7-Dioxygenated Coumarins	Pueraria mirifica	400.382	2.776	-4.717	8	4	4	129.59
Repensol	44257533	CDB0360	C15H8O6	C1=CC2=C(C=C1O)OC(=O)C3=C2OC4=CC(=CC(=C43)O)O	CFUAZBGEKBTCSH-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Trifolium repens	284.223	2.495	-4.049	6	3	0	100.13
Trifoliol	5487671	CDB0361	C16H10O6	COC1=CC(=C2C(=C1)OC3=C2C(=O)OC4=C3C=CC(=C4)O)O	YFVNQUXNYCREJW-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Trifolium repens	298.249	2.7707	-4.363	6	2	1	89.13
Wairol	5488650	CDB0362	C17H12O6	COC1=CC2=C(C(=C1)OC)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O	GYNHMEBOILXPQT-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Medicago sativa	312.276	3.0464	-4.677	6	1	2	78.13
Siderin	185740	CDB0363	C12H12O4	CC1=CC(=CC2=C1C(=CC(=O)O2)OC)OC	LLTOPKQGFAAMKH-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Sideritis canariensis	220.223	1.817	-2.393	4	0	2	44.76
Coumarsabin	338279	CDB0364	C14H16O5	CC1=CC(=C(C2=C1C(=C(C(=O)O2)C)OC)OC)OC	PKKTXAMCHLIVDS-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Juniperus sabina	264.276	2.1872	-2.535	5	0	3	53.99
Nutanocoumarin	10617423	CDB0365	C20H24O5	CC1C(C2=C(O1)C3=C(C=C(C=C3C)O)OC2=O)(C)CCC=C(C)CO	RLMJKQCFPTZLDT-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Chaptalia nutans	344.406	3.7858	-3.503	5	2	4	75.99
Psoralidin	5281806	CDB0366	C20H16O5	CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C	YABIJLLNNFURIJ-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Psoralea corylifolia	336.342	4.8632	-5.284	5	2	2	79.9
Psoralidin Oxide	44257529	CDB0367	C20H16O6	CC1(C(O1)CC2=CC3=C(C=C2O)OC(=O)C4=C3OC5=C4C=CC(=C5)O)C	DDNQJNCZXTTZFX-INIZCTEOSA-N	4,7-Dioxygenated Coumarins	Psoralea corylifolia	352.341	3.4324	-5.18	6	2	2	92.43
Isopsoralidin	12304285	CDB0368	C20H16O5	CC1(CCC2=CC3=C(C=C2O1)OC(=O)C4=C3OC5=C4C=CC(=C5)O)C	JWCDJOWFOVBBCP-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Psoralea corylifolia	336.342	4.3769	-5.765	5	1	0	68.9
Puerarol	44257531	CDB0369	C25H24O5	CC(=CCCC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)C)C	CGMGCGYLRFAMQF-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Pueraria labata	404.461	7.035	-6.26	5	2	5	79.9
Erosnin	5317189	CDB0370	C18H8O6	C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C6C(=C5)C=CO6)OC4=O	YQXNKHVPEJJBTJ-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Pachyrrhizus eratus	320.256	4.0951	-6.807	6	0	0	71.04
Corylidin	5316096	CDB0371	C20H16O7	CC1(C(C(C2=C(O1)C=C3C(=C2)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)O)O)C	QYJUEWQOEZPDIA-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Psoralea corylifolia	368.34	2.7988	-4.818	7	3	0	109.36
Phaseol	44257530	CDB0372	C20H16O5	CC(=CCC1=C(C=CC2=C1OC(=O)C3=C2OC4=C3C=CC(=C4)O)O)C	FRXPSBUCIWPZMH-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Phaseolus aureus	336.342	4.8632	-5.284	5	2	2	79.9
Plicadin	10980538	CDB0373	C20H14O5	CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C4=C3OC5=C4C=CC(=C5)O)C	SPBFWPDNBGDCCJ-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Psoralea plicata	334.326	4.2131	-5.9	5	1	0	68.9
Novobiocin	54675769	CDB0374	C31H36N2O11	CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O	YJQPYGGHQPGBLI-UHFFFAOYSA-N	4,7-Dioxygenated Coumarins	Streptomyces niveus	612.63	3.27	-5.272	13	5	9	196.1
Frutinone B	11808521	CDB0375	C17H10O5	COC1=CC=CC2=C1OC(=O)C3=C2OC4=CC=CC=C4C3=O	YEEPARQWBYNUDV-UHFFFAOYSA-N	4,8-Dioxygenated Coumarins	Polygala fruticosa	294.261	2.6776	-3.732	5	0	1	61.83
Anisocoumarin B	14259051	CDB0376	C14H14O4	CC(=CCOC1=CC(=C2C=CC(=O)OC2=C1)O)C	HOULBXRCMJRUKO-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Clausen a anisata	246.261	2.751	-2.828	4	1	3	55.76
Limettin (Citropten)	2775	CDB0377	C11H10O4	COC1=CC2=C(C=CC(=O)O2)C(=C1)OC	NXJCRELRQHZBQA-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus limeua	206.196	1.3574	-2.406	4	0	2	44.76
Gancaonin W	15380910	CDB0378	C21H20O6	CC(=CCC1=C(C=CC(=C1O)C2=CC3=C(C=C(C=C3OC)O)OC2=O)O)C	RNFUXVIDJFTPRS-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Glycyrrhiza sp.	368.384	3.668	-3.396	6	3	4	96.22
Glyasperin L	101664571	CDB0379	C21H18O6	CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(C=C(C=C4OC)O)OC3=O)C	RVMQSBYTVFSIMB-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Glycyrrhiza aspera	366.368	3.0179	-4.012	6	2	2	85.22
Serratin	5398649	CDB0380	C15H10O4	C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=CC(=C23)O)O	HUQKUJNSVHEHIH-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Passifiora serratodigitata	254.24	2.3041	-2.983	4	2	1	66.76
Toddaculin	5321960	CDB0381	C16H18O4	CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C	KRQHZFHWEAJPNO-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Toddalia aculeata	274.315	3.3799	-3.345	4	0	4	44.76
Toddanol	101628359	CDB0382	C16H18O5	CC(=C)C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O	RUCHZOCSENTTRO-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Toddalia asiatica	290.314	2.4248	-3.113	5	1	5	64.99
Aculeatin	5316354	CDB0383	C16H18O5	CC1(C(O1)CC2=C(C=C3C(=C2OC)C=CC(=O)O3)OC)C	DZSSBQWTSOMKDI-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Toddalia aculeata	290.314	1.9491	-3.241	5	0	4	57.29
Toddanone	15071017	CDB0384	C16H18O5	CC(=C)C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O	RUCHZOCSENTTRO-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Toddalia asiatica	290.314	2.4248	-3.113	5	1	5	64.99
Toddalolactone	5321961	CDB0385	C16H20O6	CC(C)(C(CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O	GLWPLQBQHWYKRK-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Toddalia aculeata	308.329	1.3627	-2.76	6	2	5	85.22
Celereoin	5315768	CDB0386	C14H14O5	CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O	WCBFKVBQHXJRCX-LLVKDONJSA-N	5,7-Dioxygenated Coumarins	Apium graveolens	262.26	1.5154	-2.799	5	2	1	75.99
Celereoside	73989751	CDB0387	C20H24O10	CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	JMWIRXQFQXREAB-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Apium graveolens	424.401	-0.3217	-2.499	10	5	4	155.14
Bergaptol	5280371	CDB0388	C11H6O4	C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O	GIJHDGJRTUSBJR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus bergamia	202.165	1.6033	-3.233	4	1	0	59.67
Bergapten	2355	CDB0389	C12H8O4	COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	BGEBZHIAGXMEMV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus bergamia	216.192	1.879	-3.547	4	0	1	48.67
Isoimperatorin (Cnidin)	68081	CDB0390	C16H14O4	CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	IGWDEVSBEKYORK-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Imperatoria ostruthium	270.283	3.5483	-4.283	4	0	3	48.67
Pranferol	159751	CDB0391	C16H16O5	CC(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	JZRGHDSNRVNBNT-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Prangos ferulaceae	288.298	2.3906	-4.148	5	1	4	68.9
Pabulenol	3009225	CDB0392	C16H14O5	CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	BVMOMQJYQYBMKL-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Prangos pabularia	286.282	2.5932	-4.051	5	1	4	68.9
Gosferol	511358	CDB0393	C16H14O5	CC(=C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	BVMOMQJYQYBMKL-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Prangos ferulaceae	286.282	2.5932	-4.051	5	1	4	68.9
Prangolarine (( + )-Oxypeucedanin)	928465	CDB0394	C16H14O5	CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	QTAGQHZOLRFCBU-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Prangos pabularia	286.282	2.1175	-4.179	5	0	3	61.2
Isooxypeucedanin	625383	CDB0395	C16H14O5	CC(C)C(=O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3	USLPJJIUMAKBIU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Angelica sylvestris	286.282	2.3594	-4.199	5	0	4	65.74
(+ )-Oxypeucedanin Hydrate	17536	CDB0396	C16H16O6	CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O	PEWFWDOPJISUOK-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Angelica gmeliniPeucedanum palustre	304.297	1.5311	-3.698	6	2	4	89.13
(+ )-Oxypeucedanin Methanolate	483514	CDB0397	C17H18O6	CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)OC	UHENVVIVPZCJOA-AWEZNQCLSA-N	5,7-Dioxygenated Coumarins	Skimmia japonica	318.324	1.959	-3.826	6	1	5	78.13
Ostruthol	6441273	CDB0398	C21H22O7	CC=C(C)C(=O)OC(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C(C)(C)O	WXULKGXQMWVWMP-KRWDZBQOSA-N	5,7-Dioxygenated Coumarins	Peucedanum ostruthium	386.399	3.2787	-4.544	7	1	7	95.2
Japoangelol C	10554599	CDB0399	C33H38O7	CCCCCCCC=CC(C#CC#CC(C=C)O)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O	PZHIVNBTNDVCEU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Angelica japonica	546.658	6.8911	-10.888	7	2	15	98.36
Japoangelol D	10674138	CDB0400	C33H38O7	CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)O	ZUIYHSOAFCLTEN-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Angelica japonica	546.658	6.8911	-10.888	7	2	15	98.36
Saxalin	182277	CDB0401	C16H15O5Cl	CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)O)Cl	QPHPWCUVCZXUEP-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Angelica saxatilis	322.743	2.7393	-4.497	5	1	4	68.9
Aurantiumal	122201415	CDB0402	C21H22O5	CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC(C)(C)C=O	JBBNVKWFZYFPIG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus paradisi	354.401	4.5566	-5.138	5	0	7	65.74
Bergamottin (Bergaptin)	5471349	CDB0403	C21H22O4	CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C	DBMJZOMNXBSRED-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus bergamia	338.402	5.7201	-5.259	4	0	6	48.67
Anhydronotoptol	5319004	CDB0404	C21H20O4	CC(=C)C=CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	SFUVOLKWTCFJSX-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Notopterygium incisum	336.386	5.5346	-5.198	4	0	6	48.67
Notopterol	5320227	CDB0405	C21H22O5	CC(=CC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)O)C	BKIACVAZUKISOR-OAHLLOKOSA-N	5,7-Dioxygenated Coumarins	Notopterygium incisum	354.401	4.6983	-4.86	5	1	6	68.9
Ethylnotopterol	5317258	CDB0406	C23H26O5	CCOC(CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C=C(C)C	HUIKFGYKROOMLM-QGZVFWFLSA-N	5,7-Dioxygenated Coumarins	Notopterygium incisum	382.454	5.5325	-5.288	5	0	8	57.9
Notoptol	5320228	CDB0407	C21H22O5	CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CC=CC(C)(C)O	WIEGIEBFVOUTDV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Notopterygium incisum	354.401	4.4725	-4.845	5	1	6	68.9
Notoptolide	5320229	CDB0408	C25H30O6	CCOC(C)OC(C)(C)C=CCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C	KVOVLZYNXYSDNA-SFHVURJKSA-N	5,7-Dioxygenated Coumarins	Notopterygium incisum	426.507	5.4332	-5.515	6	0	10	67.13
Anhydronotoptoloxide	5319014	CDB0409	C21H20O5	CC(=C)C1C(O1)CC(=CCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	RHKSSBBUZBOFLR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Notopterygium incisum	352.385	4.4122	-5.109	5	0	6	61.2
Archangelin (Iselin)	177156	CDB0410	C21H22O4	CC1=C(CCC(C1)(C)C)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4	NETRCGJRLNZPCW-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Angelica archangelica	338.402	4.5659	-5.37	4	0	3	48.67
Kanzonol Q	11253965	CDB0411	C15H16O4	CC1(CCC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	HJUDWPJIBKIYQS-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Glycyrrhiza uralensis	260.288	2.6179	-3.512	4	0	1	44.76
Clausenin	5315948	CDB0412	C14H12O5	CC1(CC(=O)C2=C(O1)C=C3C(=C2O)C=CC(=O)O3)C	XFSINVCSJTYZGH-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Clausena heptaphylla	260.244	1.7914	-3.379	5	1	0	72.83
Eriobrucinol	102059837	CDB0413	C19H20O4	CC1(C2CCC3(C2C1C4=C(O3)C=C5C(=C4O)C=CC(=O)O5)C)C	FIAJUSACIWBXJG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Eriostemon brucei	312.364	3.5742	-4.395	4	1	0	55.76
Hydroxyeriobrucinol	101635471	CDB0414	C19H20O5	CC1(C2C(CC3(C2C1C4=C(O3)C=C5C(=C4O)C=CC(=O)O5)C)O)C	ZSTCJSXZGHSBEH-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Eriostemon brucei	328.363	2.7221	-3.996	5	2	0	75.99
Xanthoxylin	66654	CDB0415	C10H12O4	CC(=O)C1=C(C=C(C=C1OC)OC)O	FBUBVLUPUDBFME-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum americanum	196.201	1.0451	-2.04	4	1	3	55.76
Phyllocoumarin	44257095	CDB0416	C18H14O7	C1C(C(OC2=C1C(=CC3=C2C=CC(=O)O3)O)C4=CC(=C(C=C4)O)O)O	JXVQELAURPRTFD-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Phyllocladus trichomanoides	342.302	1.6922	-2.814	7	4	1	116.45
Alloxanthoxyletin	5317485	CDB0417	C15H14O4	CC1(C=CC2=C(C=C3C(=C2O1)C=CC(=O)O3)OC)C	WTBVBNPZXAQTHI-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum americanum	258.272	2.4541	-3.647	4	0	1	44.76
Protobruceol-I	101636143	CDB0418	C19H20O4	CC(=CCCC1(C=CC2=C(O1)C3=C(C=C2O)OC(=O)C=C3)C)C	GYGKRTUNBQDVIZ-IBGZPJMESA-N	5,7-Dioxygenated Coumarins	Eriostemon brucei var. cinereus	312.364	4.3502	-4.309	4	1	3	55.76
Deoxybruceol	101635470	CDB0419	C19H20O4	CC1(C2CCC3(CC2C4=C(O3)C=C5C(=C4O1)C=CC(=O)O5)C)C	NHTYZRTXNCKKNM-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Eriostemon brucei	312.364	3.8085	-4.729	4	0	0	44.76
Bruceol	56841144	CDB0420	C19H20O5	CC1(C2CCC3(C(C2C4=C(O1)C=C5C(=C4O3)C=CC(=O)O5)O)C)C	AINCADFEINJXSR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Eriostemon brucei	328.363	2.9564	-4.33	5	1	0	64.99
Murrayacarpin B	14189867	CDB0421	C12H12O5	COC1=CC(=C(C2=C1C=CC(=O)O2)CO)OC	FAMKZZUKJPKMBR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Murraya paniculata	236.222	0.7601	-2.29	5	1	3	64.99
Toddalenone	101893838	CDB0422	C15H14O5	CC(=O)C=CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC	MNCJDGPGSIIWJA-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Toddalia asiatica	274.271	1.8494	-3.236	5	0	4	61.83
Gleinene	15609901	CDB0423	C16H18O4	CC(C)C=CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC	FFNZQIVNQOWUPG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Murraya gleinei	274.315	3.1207	-3.744	4	0	4	44.76
Sibiricol	13917413	CDB0424	C15H16O4	CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)O)OC)C	MKGYIKJRURRPKS-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Seseli sibiricum	260.288	3.1042	-3.031	4	1	3	55.76
Coumurrayin	176911	CDB0425	C16H18O4	CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C	CPXPWRXPEOMRNV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Murraya paniculata	274.315	3.3799	-3.345	4	0	4	44.76
Sesibiricin	12315487	CDB0426	C20H24O4	CC(=CCC1=C(C=C(C2=C1OC(=O)C=C2)OCC=C(C)C)OC)C	CHXXLEUCXDMIPM-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Seseli sibiricum	328.407	5.0492	-4.081	4	0	6	44.76
Omphamurin	157112	CDB0427	C16H18O5	CC(=C)C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O	NUABNGXDPYIGQM-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Murraya omphalocarpa	290.314	2.4248	-3.113	5	1	5	64.99
( - )-Sibiricin	12315526	CDB0428	C16H18O5	CC1(C(O1)CC2=C(C=C(C3=C2OC(=O)C=C3)OC)OC)C	UOEQXGRDVIMHFZ-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Murraya gleinei	290.314	1.9491	-3.241	5	0	4	57.29
Sesebrin	12772888	CDB0429	C20H24O5	CC(=CCOC1=CC(=C(C2=C1C=CC(=O)O2)CC3C(O3)(C)C)OC)C	BRUAGUVBIBZDRG-KRWDZBQOSA-N	5,7-Dioxygenated Coumarins	Seseli sibiricum	344.406	3.6184	-3.977	5	0	6	57.29
Glabralactone (Angelicone)	616303	CDB0430	C16H16O5	CC(=CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C	JEDBBFHVVHKMKS-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Angelica glabraAngelica ursina	288.298	2.4916	-3.526	5	0	4	61.83
Isosibiricin	5316871	CDB0431	C16H18O5	CC(C)C(=O)CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC	ISXFUPHLGNGMIC-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Severinia buxifolia	290.314	2.191	-3.261	5	0	5	61.83
Mexoticin	4465807	CDB0432	C16H20O6	CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O	JVCJUTNJQMKKCK-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Severinia buxifolia	308.329	1.3627	-2.76	6	2	5	85.22
(-)-Mexoticin (Isomexoticin)	821399	CDB0433	C16H20O6	CC(C)(C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O	JVCJUTNJQMKKCK-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Murraya paniculata	308.329	1.3627	-2.76	6	2	5	85.22
Omphalocarpin	101988840	CDB0434	C17H22O6	CC(C(C)(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)OC	GHXPTZOTUKKASE-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Murraya paniculata var. omphalocarpa	322.356	1.7906	-2.888	6	1	6	74.22
Sesebrinol	12772889	CDB0435	C20H26O6	CC(=CCOC1=CC(=C(C2=C1C=CC(=O)O2)CC(C(C)(C)O)O)OC)C	UNAHBFVKPGDHSP-KRWDZBQOSA-N	5,7-Dioxygenated Coumarins	Seseli sibiricum	362.42	3.032	-3.496	6	2	7	85.22
Toddacoumaquinone	10046907	CDB0436	C23H18O7	CC1=CC(=C2C(=C1)C(=O)C=C(C2=O)OC)C3=C(C=C(C4=C3OC(=O)C=C4)OC)OC	SQTLGMZYHSFVGI-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Toddalia asiatica	406.389	3.0684	-6.121	7	0	4	88.13
Isobergaptol	10198122	CDB0437	C11H6O4	C1=CC(=O)OC2=C1C(=CC3=C2C=CO3)O	OOWBIFOFDYBTAE-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Heracleum thomsoni	202.165	1.6033	-3.233	4	1	0	59.67
Isobergapten	68082	CDB0438	C12H8O4	COC1=C2C=CC(=O)OC2=C3C=COC3=C1	AJSPSRWWZBBIOR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Pimpinella saxifraga	216.192	1.879	-3.547	4	0	1	48.67
Lanatin	53398715	CDB0439	C16H14O4	CC(=CCOC1=C2C=CC(=O)OC2=C3C=COC3=C1)C	KRMAZPGDYXHYMX-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Heracleum lanatum	270.283	3.5483	-4.283	4	0	3	48.67
Cis-Grandmarin	21574272	CDB0440	C15H16O6	CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C	RRUHFAXVNXSPNG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus medica	292.286	1.0398	-2.565	6	2	1	85.22
Trans-Grandmarin	14213970	CDB0441	C15H16O6	CC1(C(C(C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C	RRUHFAXVNXSPNG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus tamurana x C. kinokuni	292.286	1.0398	-2.565	6	2	1	85.22
Glycycoumarin	5317756	CDB0442	C21H20O6	CC(=CCC1=C(C2=C(C=C1O)OC(=O)C(=C2)C3=C(C=C(C=C3)O)O)OC)C	NZYSZZDSYIBYLC-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Glycyrrhiza uralensis	368.384	3.668	-3.396	6	3	4	96.22
Glycyrin	480787	CDB0443	C22H22O6	CC(=CCC1=C(C=C2C(=C1OC)C=C(C(=O)O2)C3=C(C=C(C=C3)O)O)OC)C	FWWGXZYUURXJLK-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Glycyrrhiza sp.	382.411	3.9437	-3.71	6	2	5	85.22
Sisafolin	44257545	CDB0444	C18H14O7	COC1=C(C=CC(=C1)O)C2=CC(=O)OC3=CC(=C(C(=C23)O)C=O)OC	ZXKVXOALVPANGD-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Dalbergia latifolia	342.302	2.0974	-3.343	7	2	4	102.29
Furopinnarin	179399	CDB0445	C17H16O4	CC(C)(C=C)C1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2	ZPLVEUIOSKJIDT-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Ruta pinnata	284.31	3.7298	-4.916	4	0	3	48.67
Hortiolone	101281776	CDB0446	C19H18O4	CC(=C)C1=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C	QSKJUCLGRZIBCC-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Hortia arborea	310.348	4.4314	-5.16	4	1	3	59.67
Clausenidin	5315947	CDB0447	C19H20O5	CC1(CC(=O)C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C	RDROOFQFFWIIDK-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Clausena heptaphylla	328.363	3.6422	-4.748	5	1	2	72.83
Neoacrimarine-D	102078537	CDB0448	C38H37NO8	CC1(CC(C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=C5C(=C6C(=C4O)C(=O)C7=C(N6C)C(=CC=C7)O)C=CC(O5)(C)C)C	BFIGFOVYMXCKHN-NRFANRHFSA-N	5,7-Dioxygenated Coumarins	Citrus hassaku	635.711	6.9335	-9.453	9	3	3	125.76
Neoacrimarine-E	102149716	CDB0449	C35H35NO9	CC1(CC(C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	XFTQVQSYVLDGDM-SFHVURJKSA-N	5,7-Dioxygenated Coumarins	Citrus paradisi x C. tangerina	613.661	5.9764	-8.066	10	3	6	132.78
Nordentatin	5320206	CDB0450	C19H20O4	CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C=C)OC(=O)C=C3)C	FREXEHTVBRSRGJ-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Clausena dentata	312.364	4.0292	-4.702	4	1	2	55.76
Dentatin (Poncitrin)	342801	CDB0451	C20H22O4	CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC)C	QBFYQVZGIDUNIY-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Clausena dentataPoncirus trifohata	326.391	4.3049	-5.016	4	0	3	44.76
Ponfolin	174673	CDB0452	C24H28O4	CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC(C)(C)C=C)C	JUUQZEDESBYHJJ-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Poncirus trifohata	380.482	5.72	-6.012	4	0	5	44.76
Oxanordentatin	101610321	CDB0453	C19H20O5	CC1(C=CC2=C(O1)C3=C(C(=C2O)C(C)(C)C4CO4)OC(=O)C=C3)C	UOCNOTHUBXSULD-LBPRGKRZSA-N	5,7-Dioxygenated Coumarins	Citrus hassaku	328.363	2.9698	-4.338	5	1	2	68.29
Trachyphyllin	71436449	CDB0454	C19H20O4	CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)O)C=CC(=O)O2)C	NZJOMNMCRDSZDS-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Eriostemon trachyphyllus	312.364	4.2009	-4.272	4	1	2	55.76
Kinocoumarin	14213975	CDB0455	C24H28O4	CC1(C(=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C	OPQNNWVPHFUNEH-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Citrus medica	380.482	5.9768	-5.642	4	1	4	55.76
Dipetaline	5316928	CDB0456	C20H22O4	CC(=CCC1=C(C2=C(C3=C1OC(=O)C=C3)OC(C=C2)(C)C)OC)C	NOGMHSRRWYDWTM-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum dipetalum	326.391	4.4766	-4.586	4	0	3	44.76
Avicennin	5321265	CDB0457	C20H20O4	CC(=C)C=CC1=C(C2=C(C3=C1OC(=O)C=C3)OC(C=C2)(C)C)OC	AKGXRWOSGJLLNQ-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum avicennae	324.375	4.42	-4.888	4	0	3	44.76
Avicennol	15118768	CDB0458	C20H22O5	CC1(C=CC2=C(O1)C3=C(C(=C2OC)C=CC(C)(C)O)OC(=O)C=C3)C	AXYRILDCSATJFU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum avicennae	342.39	3.3579	-4.535	5	1	3	64.99
Cis-Avicennol	15118769	CDB0459	C20H22O5	CC1(C=CC2=C(O1)C3=C(C(=C2OC)C=CC(C)(C)O)OC(=O)C=C3)C	AXYRILDCSATJFU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum elephantiasis	342.39	3.3579	-4.535	5	1	3	64.99
Citrusarin-A	15108309	CDB0460	C19H20O4	CC1C(C2=C(O1)C3=C(C4=C2OC(=O)C=C4)OC(C=C3)(C)C)(C)C	AOIFNIMKVOPLGP-SNVBAGLBSA-N	5,7-Dioxygenated Coumarins	Citrus hassaku	312.364	3.5256	-5.031	4	0	0	44.76
Citrusarin-B	15108310	CDB0461	C19H20O4	CC1C(C2=C(O1)C3=C(C4=C2OC(C=C4)(C)C)OC(=O)C=C3)(C)C	XJGSKSKCCPKGNZ-SNVBAGLBSA-N	5,7-Dioxygenated Coumarins	Citrus hassaku	312.364	3.5256	-5.031	4	0	0	44.76
Dipetalolactone (Hortiline)	11438305	CDB0462	C19H18O4	CC1(C=CC2=C(O1)C3=C(C4=C2OC(C=C4)(C)C)OC(=O)C=C3)C	BHLCTWNBGOOKAJ-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Zanthoxylum dipetalum	310.348	3.5508	-4.888	4	0	0	44.76
Aflatoxin B2	2724360	CDB0463	C17H14O6	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CCOC5OC4=C1	WWSYXEZEXMQWHT-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus flavus	314.292	1.9021	-3.042	6	0	1	71.06
Aflatoxin B1	186907	CDB0464	C17H12O6	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5C=COC5OC4=C1	OQIQSTLJSLGHID-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus flavus	312.276	1.6346	-3.266	6	0	1	71.06
Aflatoxin B2A	104825	CDB0465	C17H14O7	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C5CC(OC5OC4=C1)O	PFQSKXVNBUHPIW-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	330.291	1.5516	-2.856	7	1	1	91.29
Aflatoxin M2	23318	CDB0466	C17H14O7	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(CCO5)O	OQLKWHFMUPJCJY-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	330.291	0.8897	-2.54	7	1	1	91.29
Aflatoxin M1	15558498	CDB0467	C17H12O7	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(C=CO5)O	MJBWDEQAUQTVKK-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	328.275	0.6222	-2.764	7	1	1	91.29
Aflatoxin M2A	148014	CDB0468	C17H14O8	COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4C(=C1)OC5C4(CC(O5)O)O	JHYYYOLGLPXKOI-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	346.29	0.5392	-2.354	8	2	1	111.52
Aflatoxin G2	2724362	CDB0469	C17H14O7	COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CCOC5OC4=C1	WPCVRWVBBXIRMA-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	330.291	1.2223	-2.753	7	0	1	80.29
Aflatoxin G1	14421	CDB0470	C17H12O7	COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1	XWIYFDMXXLINPU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	328.275	0.9548	-2.977	7	0	1	80.29
Aflatoxin G2A	105095	CDB0471	C17H14O8	COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5CC(OC5OC4=C1)O	PHYKMMVEUJESOM-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	346.29	0.8718	-2.567	8	1	1	100.52
Aflatoxin Gm2	131751028	CDB0472	C17H14O8	COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C(=C1)OC5C4(CCO5)O	OZSVZTQMDLNGFU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	346.29	0.2099	-2.251	8	1	1	100.52
Aflatoxin Gm	101243999	CDB0473	C17H14O8	COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C(=C1)OC5C4(CCO5)O	OZSVZTQMDLNGFU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Aspergillus fiavus	346.29	0.2099	-2.251	8	1	1	100.52
Claucavatin-B	102446087	CDB0474	C24H30O5	CC1(C(CC2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)O)C	XNKGBWKBHHJMFK-MRXNPFEDSA-N	5,7-Dioxygenated Coumarins	Clausena excavata	398.497	5.2885	-5.108	5	2	4	75.99
Claucavatin-A	102446086	CDB0475	C24H28O5	CC1(CC(=O)C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C	NMVOQBXMPKNNCL-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Clausena excavata	396.481	5.5898	-5.688	5	1	4	72.83
Neoacrimarine-B	102277789	CDB0476	C39H41NO9	CC1(CC(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)O)O)OC)C	LOTKMARBSZKWMQ-FQEVSTJZSA-N	5,7-Dioxygenated Coumarins	Citrus paradisi x C. tangerina	667.753	7.6483	-8.692	10	4	7	143.78
Neoacrimarine-A	131752804	CDB0477	C40H43NO9	CC1(CC(C2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C=C)C4=C(C=C(C5=C4NC6=C(C5=O)C=CC(=C6OC)OC)O)OC)C	MHPPNTXKFWUDIA-NRFANRHFSA-N	5,7-Dioxygenated Coumarins	Citrus paradisi x C. tangerina	681.779	7.924	-9.006	10	3	8	132.78
Oxaclausarin	15101826	CDB0478	C24H28O5	CC1(C=CC2=C(O1)C(=C3C(=C2O)C=C(C(=O)O3)C(C)(C)C=C)C(C)(C)C4CO4)C	IYPNGWLLGHHVAB-INIZCTEOSA-N	5,7-Dioxygenated Coumarins	Citrus hassaku	396.481	4.9174	-5.278	5	1	4	68.29
Pseudocordatolide C	467236	CDB0479	C20H22O5	CC1C(OC2=C3C(=CC(=O)OC3=C4C=CC(OC4=C2C1O)(C)C)C)C	AAPFBQWCKBJQGL-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum lanigerum var. austrocoriaceum	342.39	3.0381	-3.985	5	1	0	64.99
Oblongulide	6450922	CDB0480	C21H22O5	CC=C(C)C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C)OC(C=C2)(C)C)OC	MBFFYFBHNRLSMO-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum cordatooblongum	354.401	3.6665	-4.496	5	0	3	61.83
Cordatolide B	469581	CDB0481	C20H22O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C)C4=C2C=CC(O4)(C)C)C	VFKOXOKVQKGOTG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum cordatooblongum	342.39	3.0381	-3.985	5	1	0	64.99
Cordatolide A	126938	CDB0482	C20H22O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C)C4=C2C=CC(O4)(C)C)C	VFKOXOKVQKGOTG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum cordatooblongum	342.39	3.0381	-3.985	5	1	0	64.99
Mammea B/Ac	44546134	CDB0483	C21H26O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CCC)O	HDHKEYMZRICGLG-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum cordatooblongum	358.432	4.5955	-4.21	5	2	7	83.83
Mammea B/ Ab (Mab 2)	71436830	CDB0484	C22H28O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)C(C)CC)O	PQMOXTJVIYEOQL-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Mammea americana	372.459	4.8138	-4.37	5	2	7	83.83
Mammea B/Bd	102383790	CDB0485	C21H26O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)C)O)CC=C(C)C)O	FLFMHVIZGHIVEJ-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea americanaMammea africana	358.432	4.3594	-4.1	5	2	6	83.83
Mammeab/Bc (Normammein)	71438014	CDB0486	C21H26O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CCC)O)CC=C(C)C)O	KXLBWJRELYDBOS-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea americana	358.432	4.5955	-4.21	5	2	7	83.83
Mammea B/Bb	53320112	CDB0487	C22H28O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)CC)O)CC=C(C)C)O	FSOGIJPGPZWNGO-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Mammea americana	372.459	4.8138	-4.37	5	2	7	83.83
(Neomammein)	10339247	CDB0488	C22H28O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)CC)O)CC=C(C)C)O	FSOGIJPGPZWNGO-ZDUSSCGKSA-N	5,7-Dioxygenated Coumarins	Mammea americana	372.459	4.8138	-4.37	5	2	7	83.83
Mammein (Mammea B/Ba) (Ferruol B)	5489487	CDB0489	C22H28O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O	LYJWLIYDNZREPC-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mesua ferrea	372.459	4.8138	-4.37	5	2	7	83.83
Mammeab/Aa (Isomammein)	5748528	CDB0490	C22H28O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O	VXFHCMCZMKQIMR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea americana	372.459	4.8138	-4.37	5	2	7	83.83
Surangin A	5321563	CDB0491	C27H36O5	CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)CC)O)CC=C(C)CCC=C(C)C)O	HTVCZGDEKPMUHH-SFHVURJKSA-N	5,7-Dioxygenated Coumarins	Mammea longifolia	440.578	6.9856	-5.346	5	2	10	83.83
(Mab 4)Mammeab/Ab Cyclo F	131751071	CDB0492	C22H28O6	CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=C12)O)C(=O)C(C)CC)C(C)(C)O	KTJYLXIAFCVVBF-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea africana	388.458	3.5007	-4.452	6	2	6	93.06
(Furomammea G) Mammea B/Aa Cyclo F	90472431	CDB0493	C22H28O6	CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=C12)O)C(=O)CC(C)C)C(C)(C)O	KYKWIMFWAYVDJI-OAHLLOKOSA-N	5,7-Dioxygenated Coumarins	Mammea americana	388.458	3.5007	-4.452	6	2	6	93.06
Pyranomammea B	131752522	CDB0494	C22H28O6	CCCC1=CC(=O)OC2=C1C(=C3CC(C(OC3=C2C(=O)C(C)CC)(C)C)O)O	IWAUBOJXTGEZNN-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea americana	388.458	3.4754	-4.452	6	2	5	93.06
Pyranomammea C	71436829	CDB0495	C22H28O6	CCCC1=CC(=O)OC2=C1C(=C3CC(C(OC3=C2C(=O)CC(C)C)(C)C)O)O	IWXVZIMHJKPWIP-OAHLLOKOSA-N	5,7-Dioxygenated Coumarins	Mammea americana	388.458	3.4754	-4.452	6	2	5	93.06
Furomammea D	131751483	CDB0496	C22H28O7	CCCC1=CC(=O)OC2=C(C(=C3CC(OC3=C12)C(C)(C)OO)O)C(=O)CC(C)C	KTMGXZPJSXTUNM-OAHLLOKOSA-N	5,7-Dioxygenated Coumarins	Mammea americana	404.457	3.7028	-4.777	7	2	7	102.29
Calanolide B	65008	CDB0497	C22H26O5	CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O	NIDRYBLTWYFCFV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum lanigerum	370.443	3.9469	-4.525	5	1	2	64.99
Calanolide A	64972	CDB0498	C22H26O5	CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O	NIDRYBLTWYFCFV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum lanigerum	370.443	3.9469	-4.525	5	1	2	64.99
Calanolide F	122843	CDB0499	C22H26O5	CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O	NIDRYBLTWYFCFV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum teysmannii var. inophylloide	370.443	3.9469	-4.525	5	1	2	64.99
Costatolide	461128	CDB0500	C22H26O5	CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(C(C(O4)C)C)O	NIDRYBLTWYFCFV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum costatum	370.443	3.9469	-4.525	5	1	2	64.99
Pseudocalanolide C	11726636	CDB0501	C22H26O5	CCCC1=CC(=O)OC2=C3C=CC(OC3=C4C(C(C(OC4=C12)C)C)O)(C)C	XCJYGBQSIDIDLV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum lanigerum	370.443	3.9469	-4.525	5	1	2	64.99
Pseudocalanolide D	11726517	CDB0502	C22H24O5	CCCC1=CC(=O)OC2=C3C=CC(OC3=C4C(=O)C(C(OC4=C12)C)C)(C)C	QOFDITUHNAYYJC-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum lanigerum	368.428	4.1221	-5.254	5	0	2	61.83
Tomentolide B	5321974	CDB0503	C22H24O5	CCCC1=CC(=O)OC2=C3C=CC(OC3=C4C(=O)C(C(OC4=C12)C)C)(C)C	QOFDITUHNAYYJC-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum tomentosum	368.428	4.1221	-5.254	5	0	2	61.83
Assamene	10500479	CDB0504	C22H28O6	CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)C)O	LVYGPLHUPURZDF-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Kayea assamica	388.458	3.792	-3.971	6	3	7	104.06
Surangin C	5386468	CDB0505	C27H36O6	CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)CCC=C(C)C)O	PVNISOOZUQFLJH-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea longifolia	456.577	5.9638	-4.947	6	3	10	104.06
Surangin B	5321564	CDB0506	C29H38O7	CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)OC(=O)C)O)CC=C(C)CCC=C(C)C)O	UTENTZJIWUVVPY-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea longifolia	498.614	6.4484	-5.357	7	2	12	110.13
Mammea C/Ab Cyclo D	131751500	CDB0507	C24H30O5	CCCCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)C(C)CC)(C)C	YBYLFVYSBOCFRD-AWEZNQCLSA-N	5,7-Dioxygenated Coumarins	Mammea americana	398.497	5.0725	-5.526	5	1	7	72.83
Mesuol	5277586	CDB0508	C24H24O5	CC(C)C(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O	IWUNXYBEJCJQHB-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mesua ferrea	392.45	4.8705	-5.036	5	2	5	83.83
Racemosone	15407040	CDB0509	C21H18O6	CCCC(=O)C1=C(C(=C2C(=C1O)C(=CC(=O)O2)C3=CC=CC=C3)C(=O)C)O	CWYKFYFKUYOIRI-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mesua racemosa	366.368	2.9553	-4.891	6	2	5	100.9
Racemosol	624971	CDB0510	C21H24O4	CC1=C(C=C2CCC3=C(C=CC(=C3O)OC)C4C2=C1OC(C4)(C)C)O	PXUNBQVWLWLIHU-OAHLLOKOSA-N	5,7-Dioxygenated Coumarins	Mesua racemosa	340.418	3.8492	-4.211	4	2	1	58.92
Mab 1	6483317	CDB0511	C25H26O5	CCC(C)C(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O	YALRCXHVQYBSJC-HNNXBMFYSA-N	5,7-Dioxygenated Coumarins	Mammea americana	406.476	5.3249	-5.306	5	2	6	83.83
Disparinol B	10047855	CDB0512	C25H26O6	CCC(C)C(=O)C1=C(C2=C(C(=C1O)CC(C(=C)C)O)OC(=O)C=C2C3=CC=CC=C3)O	ZJEGMYRKQKKGKH-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum dispar	422.475	4.3698	-5.074	6	3	7	104.06
Isoracemosol	15407043	CDB0513	C24H24O6	CCCC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC(C(=C)C)O)O	XSNRTHHONWPPCD-SFHVURJKSA-N	5,7-Dioxygenated Coumarins	Mesua racemosa	408.449	4.1515	-4.914	6	3	7	104.06
Isodisparinol B	100926911	CDB0514	C25H26O6	CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC(C(=C)C)O)O	RAIZTULKRWIEBV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum dispar	422.475	4.3698	-5.074	6	3	7	104.06
Isodisparinol A	100926910	CDB0515	C25H26O6	CC(C)CC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC(C(=C)C)O)O	ITJOJKQNAUALSC-SFHVURJKSA-N	5,7-Dioxygenated Coumarins	Calophyllum dispar	422.475	4.3698	-5.074	6	3	7	104.06
Disparinol A	6483321	CDB0516	C25H26O6	CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC(C(=C)C)O)OC(=O)C=C2C3=CC=CC=C3)O	IQMQJKCHMGXLEU-SFHVURJKSA-N	5,7-Dioxygenated Coumarins	Calophyllum dispar	422.475	4.3698	-5.074	6	3	7	104.06
Furanoracemosone	15407041	CDB0517	C21H16O5	CCCC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CO2	WUIYLXXBSXOSSJ-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mesua racemosa	348.353	3.8814	-5.662	5	1	4	76.74
Teysmanone B	15381982	CDB0518	C26H26O5	CC1C(OC2=C(C(=C3C(=CC(=O)OC3=C2C1=O)C4=CC=CC=C4)OC)CC=C(C)C)C	DJQOFJYLUOKIRR-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum teysmannii var. inophylloide	418.487	5.559	-5.888	5	0	4	61.83
Mesuagin	5319380	CDB0519	C24H22O5	CC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C	SVCPILBFQWTZFW-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mesua ferrea	390.434	4.2204	-5.652	5	1	3	72.83
Mesuarin	52057409	CDB0520	C25H24O5	CC(C)C(=O)C1=C2C(=C3C(=C1OC)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C	YZTNMIZRHXSBOA-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mesua [errea	404.461	4.4961	-5.966	5	0	4	61.83
Mammeigin	5319255	CDB0521	C25H24O5	CC(C)CC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C	VSDJRZADBKXDHP-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Mammea americana	404.461	4.6748	-5.922	5	1	4	72.83
Hydroxymammeigin	15478944	CDB0522	C25H24O6	CC(CC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C)CO	HRZGNXKXQGTISZ-AWEZNQCLSA-N	5,7-Dioxygenated Coumarins	Kielmeyera elata	420.46	3.7481	-5.415	6	2	5	93.06
Isocalanone	11004403	CDB0523	C27H20O5	CC1(C=CC2=C3C(=C(C(=C2O1)C(=O)C4=CC=CC=C4)O)C(=CC(=O)O3)C5=CC=CC=C5)C	FAZVFXHNTSBJBV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum teysmannii	424.451	4.8065	-6.638	5	1	3	72.83
Apetalolide	11047986	CDB0524	C26H24O5	CC=C(C)C(=O)C1=C2C(=C3C(=C1OC)C(=CC(=O)O3)C4=CC=CC=C4)C=CC(O2)(C)C	IGOQXOXLHZFPHW-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum apetalum	416.472	5.0864	-5.972	5	0	4	61.83
Teysmanone A	15381981	CDB0525	C27H20O5	CC1(C=CC2=C(C3=C(C(=C2O1)C(=O)C4=CC=CC=C4)OC(=O)C=C3C5=CC=CC=C5)O)C	NYPHJSCHWLYHEU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum teysmannii var. inophylloide	424.451	4.8065	-6.638	5	1	3	72.83
Ponnalide	12314461	CDB0526	C25H24O5	CCC(C)C(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)C)C(=CC(=O)O2)C4=CC=CC=C4	MIXHWJJKSJFGCZ-AWEZNQCLSA-N	5,7-Dioxygenated Coumarins	Calophyllum teysmannii var. inophylloide	404.461	4.6748	-5.922	5	1	4	72.83
Calophyllolide	5281392	CDB0527	C26H24O5	CC=C(C)C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C4=CC=CC=C4)OC(C=C2)(C)C)OC	PMBLOLOJQZPEND-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	416.472	5.0864	-5.972	5	0	4	61.83
Calanone	5352087	CDB0528	C27H20O5	CC1(C=CC2=C(C(=C3C(=C2O1)C(=CC(=O)O3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)O)C	YIMMSKZEXWJKNU-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum teysmannii	424.451	4.8065	-6.638	5	1	3	72.83
Inophyllum G-2	455255	CDB0529	C25H24O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C6C(C6(C)C)O5)C	NDJILOHYAHLIPO-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	404.461	4.6264	-5.468	5	1	1	64.99
Inophyllum P	455249	CDB0530	C25H24O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	BXENDTPSKAICGV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	404.461	4.458	-5.461	5	1	1	64.99
Inophyllum D	455250	CDB0531	C25H24O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	BXENDTPSKAICGV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	404.461	4.458	-5.461	5	1	1	64.99
Inophyllum B	72412	CDB0532	C25H24O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	BXENDTPSKAICGV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	404.461	4.458	-5.461	5	1	1	64.99
Inophyllum A	455248	CDB0533	C25H24O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	BXENDTPSKAICGV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	404.461	4.458	-5.461	5	1	1	64.99
Soulattrolide	72978	CDB0534	C25H24O5	CC1C(OC2=C(C1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	BXENDTPSKAICGV-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum soulauri	404.461	4.458	-5.461	5	1	1	64.99
Inophyllum C	455252	CDB0535	C25H22O5	CC1C(OC2=C(C1=O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	YRHQANFINIANSK-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Calophyllum inophyllum	402.445	4.6332	-6.19	5	0	1	61.83
Trans-( -)-Inophyllolide	5254	CDB0536	C25H22O5	CC1C(OC2=C(C1=O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C	YRHQANFINIANSK-UHFFFAOYSA-N	5,7-Dioxygenated Coumarins	Ca/ophyllum teysmannii	402.445	4.6332	-6.19	5	0	1	61.83
Aesculetin	5281416	CDB0537	C9H6O4	C1=CC(=O)OC2=CC(=C(C=C21)O)O	ILEDWLMCKZNDJK-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Euphorbia lathyris	178.143	0.806	-1.778	4	2	0	66.76
Isoscopoletin	69894	CDB0538	C10H8O4	COC1=C(C=C2C=CC(=O)OC2=C1)O	SYTYLPHCLSSCOJ-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Artemisia messerschmidiana	192.17	1.0817	-2.092	4	1	1	55.76
Prenyletin	3873459	CDB0539	C14H14O4	CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)C	AWEFUQDNSBBNCR-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Ptaeroxylon obliquum	246.261	2.751	-2.828	4	1	3	55.76
Haplopinol	102187242	CDB0540	C14H14O5	CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)O)CO	KIKJJTKUYYKDFT-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Haplopappus multifolius	262.26	1.8243	-2.321	5	2	4	75.99
Cichoriin	442101	CDB0541	C15H16O9	C1=CC(=O)OC2=CC(=C(C=C21)O)OC3C(C(C(C(O3)CO)O)O)O	WNBCMONIPIJTSB-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Cichorium intybus	340.283	-1.1833	-1.664	9	5	3	145.91
Isobaisseoside	101929805	CDB0542	C21H26O13	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)O)O)O)O)O)O)O	PQTLOQWHUISKOP-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Eriostemon cymbiformis	486.424	-2.0937	-1.871	13	7	5	204.83
Scoparone (Scoparin)	8417	CDB0543	C11H10O4	COC1=C(C=C2C(=C1)C=CC(=O)O2)OC	GUAFOGOEJLSQBT-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Artemisia scoparia	206.196	1.3574	-2.406	4	0	2	44.76
Virgatenol	10636169	CDB0544	C15H16O5	CC(=C)C(COC1=C(C=C2C=CC(=O)OC2=C1)OC)O	KFAKUXNOLDEZAV-NSHDSACASA-N	6,7-Dioxygenated Coumarins	Pterocaulon virgatum	276.287	2.0716	-2.91	5	1	5	64.99
Obtusinin	3604942	CDB0545	C15H18O6	CC(C)(C(COC1=C(C=C2C=CC(=O)OC2=C1)OC)O)O	WXTWDABXJFQNRI-ZDUSSCGKSA-N	6,7-Dioxygenated Coumarins	Conyza obscuraHaplophyllum obtusifolium	294.302	1.0095	-2.557	6	2	5	85.22
Artekeiskeanin A	24823845	CDB0546	C20H22O5	CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)CCC=C(C)C=O	SSKYVKAMMVPTNN-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Artemisia keiskeana	342.39	4.0595	-3.826	5	0	8	61.83
Pedicellone	90472499	CDB0547	C20H24O6	CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)CCC(=O)C(C)(C)O	YFNJPFSETJLTAH-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Haplophyllum pedicellatum	360.405	3.1501	-3.584	6	1	8	82.06
Scopolin (Murrayin)	439514	CDB0548	C16H18O9	COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O	SGTCGCCQZOUMJJ-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Scopolia japonica	354.31	-0.9076	-1.978	9	4	4	134.91
Hymexeisin (Xeroboside)	189520	CDB0549	C21H26O13	COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O	DCERMUGUBKSKBM-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Hymenodictyon excelsumXeromphis spinosa	486.424	-2.2613	-1.538	13	6	7	193.83
Fabiatrin	10994544	CDB0550	C21H26O13	COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O	AHBJPGDMGKOLJC-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Fabiana irnbricata	486.424	-2.1427	-1.807	13	6	6	193.83
Haploperoside A	21607625	CDB0551	C22H28O13	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)O)O)O)O)O)O	FCIZPHNZRNLUJD-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Haplophyllurn perforaturn	500.451	-1.818	-2.185	13	6	6	193.83
Haploperoside E	21607628	CDB0552	C28H38O17	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)O	LLQBCHODNVGKSF-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Haplophyllurn perforaturn	646.593	-2.7284	-2.392	17	8	8	252.75
Ayapin	3083597	CDB0553	C10H6O4	C1OC2=C(O1)C=C3C(=C2)C=CC(=O)O3	MLQTZXHZYMNZJE-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Eupatorium ayapana	190.154	1.6088	-3.081	4	0	0	44.76
Obliquin	6708593	CDB0554	C14H12O4	CC(=C)C1COC2=C(O1)C=C3C=CC(=O)OC3=C2	DUECABXXAMFFBH-CYBMUJFWSA-N	6,7-Dioxygenated Coumarins	Ptaeroxylon obliquum	244.245	2.6762	-3.263	4	0	1	44.76
Bethancorol	90474028	CDB0555	C15H12O7	COC(=O)C(=C1COC2=C(O1)C=C3C=CC(=O)OC3=C2)CO	VWRZEGWXTFRXOV-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Cneorum tricoccum	304.253	1.1751	-2.522	7	1	3	91.29
Maoyancaosu	174952	CDB0556	C18H14O7	C1C(OC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C(C4=CC(=C(C=C4)O)O)O	ZHXRTJYHLGJEEE-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Euphorbia lunulata	342.302	1.4813	-2.925	7	3	2	105.45
Moluccanin	14134112	CDB0557	C20H18O8	COC1=CC(=CC(=C1O)OC)C2C(OC3=C(O2)C=C4C(=C3)C=CC(=O)O4)CO	GBLZBLJGCQTQMB-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Aleurites moluccana	386.355	1.9047	-3.257	8	2	4	103.68
Aesculin	5281417	CDB0558	C15H16O9	C1=CC(=O)OC2=CC(=C(C=C21)OC3C(C(C(C(O3)CO)O)O)O)O	XHCADAYNFIFUHF-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Aesculus hippocastanum	340.283	-1.1833	-1.664	9	5	3	145.91
Magnolioside	3084335	CDB0559	C16H18O9	COC1=C(C=C2C=CC(=O)OC2=C1)OC3C(C(C(C(O3)CO)O)O)O	WBAVLTNIRYDCPM-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Magnolia macrophylla	354.31	-0.9076	-1.978	9	4	4	134.91
Palustroside	5481245	CDB0560	C27H30O15	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC5C(C(C(CO5)O)O)O)O)O)O)O)O	IXWDYBPIGZKUPJ-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Ledum palustre	594.52	-0.9587	-2.589	15	8	7	234.29
Rutacultin	182049	CDB0561	C16H18O4	CC(C)(C=C)C1=CC2=CC(=C(C=C2OC1=O)OC)OC	IPLJDPYEDULBAK-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Ruta graveolens	274.315	3.305	-3.346	4	0	4	44.76
Nordalbergin	5320203	CDB0562	C15H10O4	C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)O)O	TZRNJQYCOSMOJS-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia sissoo	254.24	2.3041	-2.983	4	2	1	66.76
Dalbergin	442768	CDB0563	C16H12O4	COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O	AZELSOYQOIUPBZ-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia sissoo	268.267	2.5798	-3.297	4	1	2	55.76
Isodalbergin	5318543	CDB0564	C16H12O4	COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O	JHRWCFFXJIFILI-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia sissoo	268.267	2.5798	-3.297	4	1	2	55.76
Methyldalbergin	1235191	CDB0565	C17H14O4	COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)OC	BUZZVHCRHOIKOC-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia sissoo	282.294	2.8555	-3.611	4	0	3	44.76
Stevenin	5321501	CDB0566	C16H12O5	COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC(=CC=C3)O)O	MYVNFPJTNYAPDH-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia stevensonii	284.266	2.2341	-3.001	5	2	2	75.99
Melanettin	442808	CDB0567	C16H12O5	COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=C(C=C3)O)O	HUGUGFBIYQBLCS-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia melanoxylon	284.266	2.2341	-3.001	5	2	2	75.99
Melannein	15560441	CDB0568	C17H14O6	COC1=C(C=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)O)OC)O	XZOXEPMJIGHPMG-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Dalbergia baroni	314.292	2.1641	-3.019	6	2	3	85.22
Obliquetol	12313646	CDB0569	C14H14O4	CC(C)(C=C)C1=C2C(=CC(=C1O)O)C=CC(=O)O2	GMPOVXJFTJIVCI-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Ptaeroxylon obliquum	246.261	2.6568	-3.147	4	2	2	66.76
Obliquetin	12313645	CDB0570	C15H16O4	CC(C)(C=C)C1=C2C(=CC(=C1O)OC)C=CC(=O)O2	QTONOXMAHAVZIY-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Ptaeroxylon obliquum	260.288	2.9325	-3.461	4	1	3	55.76
Cedrelopsin	12302592	CDB0571	C15H16O4	CC(=CCC1=C2C(=CC(=C1O)OC)C=CC(=O)O2)C	IIEIJMSDKBAFFP-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Cedrelopsis grevei	260.288	3.1042	-3.031	4	1	3	55.76
Nieshoutin	12308822	CDB0572	C15H16O4	CC1C(C2=C3C(=CC(=C2O1)OC)C=CC(=O)O3)(C)C	URXLWURDLTXTCV-MRVPVSSYSA-N	6,7-Dioxygenated Coumarins	Ptaeroxylon obliquum	260.288	2.4289	-3.79	4	0	1	44.76
Heratomol	10465441	CDB0573	C11H6O4	C1=CC(=O)OC2=C3C=COC3=C(C=C21)O	ZKCVFMVZXPEHMD-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Heracleum thomsoni	202.165	1.6033	-3.233	4	1	0	59.67
Sphondin	108104	CDB0574	C12H8O4	COC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2	DLCJNIBLOSKIQW-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Heracleum sphondylium	216.192	1.879	-3.547	4	0	1	48.67
Heratomin	181312	CDB0575	C16H14O4	CC(=CCOC1=C2C(=C3C(=C1)C=CC(=O)O3)C=CO2)C	DSDJMMMGDPDPIX-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Heracleum thomsoni	270.283	3.5483	-4.283	4	0	3	48.67
Toddanin	275740590	CDB0576	C15H16O5	CC1(C(CC2=C3C(=CC(=C2O1)OC)C=CC(=O)O3)O)C	JDCPKIGGMYRBEY-LLVKDONJSA-N	6,7-Dioxygenated Coumarins	Toddalia asiatica	276.287	1.7658	-3.113	5	1	1	64.99
Norbraylin	10105863	CDB0577	C14H12O4	CC1(C=CC2=C3C(=CC(=C2O1)O)C=CC(=O)O3)C	OYPWMLRFDXSKJG-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Toddalia aculeata	244.245	2.1784	-3.333	4	1	0	55.76
Braylin	618370	CDB0578	C15H14O4	CC1(C=CC2=C3C(=CC(=C2O1)OC)C=CC(=O)O3)C	UOFNVZWWIXXTMZ-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Flindersia brayleana	258.272	2.4541	-3.647	4	0	1	44.76
Lamellarin F	10076100	CDB0579	C30H27NO9	COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C(=C4CCN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)O)OC)OC)OC	GSLSPEZTQVEGOE-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Didemnum chartaceum	545.542	5.138	-6.213	10	2	6	117.84
Lamellarin E	5491996	CDB0580	C29H25NO9	COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C(=C4CCN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)O)OC)OC)O	JAYUXAMNSNMXCO-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Didemnum chartaceum	531.516	4.8623	-5.899	10	3	5	128.84
Lamellarin C	5353706	CDB0581	C30H27NO9	COC1=C(C=CC(=C1)C2=C3C4=CC(=C(C(=C4CCN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)OC)OC)OC)O	ZCBPXPBGAXIGDM-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Lamellaria sp.	545.542	5.138	-6.213	10	2	6	117.84
Lamellarin H	460908	CDB0582	C25H17NO8	C1=CC(=C(C=C1C2=C3C4=CC(=C(C=C4C=CN3C5C2C6=CC(=C(C=C6OC5=O)O)O)O)O)O)O	KIRMMCLRVYLQSV-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Didemnum chartaceum	459.409	2.6264	-3.377	9	6	1	150.92
Lamellarin D	9892144	CDB0583	C28H21NO8	COC1=C(C=CC(=C1)C2=C3C4=CC(=C(C=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)O)OC)O	ATHLLZUXVPNPAW-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Lamellaria sp.	499.474	4.3105	-8.199	9	3	4	119.09
Lamellarin B	10076040	CDB0584	C30H25NO9	COC1=C(C=CC(=C1)C2=C3C4=CC(=C(C(=C4C=CN3C5=C2C6=CC(=C(C=C6OC5=O)O)OC)OC)OC)OC)O	PWRVNSDJDNLXEO-UHFFFAOYSA-N	6,7-Dioxygenated Coumarins	Lamellaria sp.	543.527	4.5162	-8.531	10	2	6	117.32
Lamellarin A	100967178	CDB0585	C29H25NO10	COC1=C(C=C2C(=C1)C3=C(C(=O)O2)N4C(CC5=C(C(=C(C=C5C4=C3C6=CC(=C(C=C6)O)O)OC)OC)OC)O)O	HMPXMTZZLLBPOA-QFIPXVFZSA-N	6,7-Dioxygenated Coumarins	Lamellaria sp.	547.515	4.1161	-6.7	11	4	5	149.07
Daphnetin	5280569	CDB0586	C9H6O4	C1=CC(=C(C2=C1C=CC(=O)O2)O)O	ATEFPOUAMCWAQS-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Euphorbia lathyris	178.143	0.806	-1.778	4	2	0	66.76
Hydrangetin	5316302	CDB0587	C10H8O4	COC1=C(C=CC2=C1OC(=O)C=C2)O	HAQWEMHXSIRYBE-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Hydrangea macrophylla	192.17	1.0817	-2.092	4	1	1	55.76
Ferujol	6435569	CDB0588	C19H24O4	CC(C)CCCC(=CCOC1=C(C=CC2=C1OC(=O)C=C2)O)C	ATKUFZHTQAERBN-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Ferula jaeschkeana	316.396	4.7869	-4.068	4	1	7	55.76
Villosin	16733738	CDB0589	C20H28O2	CC1(CCCC2(C1CCC(=C)C2C=CC3=CCOC3=O)C)C	HVTQZHAAIRBKHO-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Haplophyllum villosum	300.44	4.2501	-4.03	2	0	2	26.3
Lacinartin	5324625	CDB0590	C15H16O4	CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C	KBHJUIRMCYXTBK-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Artemisia apiacea	260.288	3.0267	-3.142	4	0	4	44.76
Armin	123461933	CDB0591	C14H16O5	CC(CCOC1=C(C2=C(C=C1)C=CC(=O)O2)O)CO	DTFGMAKGRFQUFL-VIFPVBQESA-N	7,8-Dioxygenated Coumarins	Artemisia armeniaca	264.276	1.6884	-2.585	5	2	5	75.99
Collinin	5316012	CDB0592	C20H24O4	CC(=CCCC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C)C	MJWGWXGEAHRWOV-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Flindersia collinaZanthoxylum schinifolium	328.407	5.1985	-4.118	4	0	7	44.76
Schininallylol	5321166	CDB0593	C20H24O5	CC(=C)C(CCC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C)O	HJXUJCUQJRJQMD-INIZCTEOSA-N	7,8-Dioxygenated Coumarins	Zanthoxylum schinifolium	344.406	4.2434	-3.886	5	1	8	64.99
Schinilenol	5321165	CDB0594	C20H24O5	CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)CC=CC(C)(C)O	HAXANHARRBCLKV-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Zanthoxylum schinifolium	344.406	3.9509	-3.704	5	1	7	64.99
Epoxycollinin	5317135	CDB0595	C20H24O5	CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)CCC3C(O3)(C)C	KZSNOTJYLLULDB-INIZCTEOSA-N	7,8-Dioxygenated Coumarins	Zanthoxylum schinifolium	344.406	3.7677	-4.014	5	0	7	57.29
Schinindiol	5321167	CDB0596	C20H26O6	CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)CCC(C(C)(C)O)O	AGIAPQOXXWKVOJ-INIZCTEOSA-N	7,8-Dioxygenated Coumarins	Zanthoxylum schinifolium	362.42	3.1813	-3.533	6	2	8	85.22
Clauslactone-L	10689733	CDB0597	C20H22O6	CC1CC(OC1=O)CC(=CCOC2=C(C3=C(C=C2)C=CC(=O)O3)OC)C	FBTBKSRGEOAAEU-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Clausena excavata	358.389	3.0777	-3.939	6	0	6	71.06
Clauslactone-K	10689615	CDB0598	C20H20O6	CC1=CC(OC1=O)CC(=CCOC2=C(C3=C(C=C2)C=CC(=O)O3)OC)C	QUKDLMFYXITHBM-HNNXBMFYSA-N	7,8-Dioxygenated Coumarins	Clausena excavata	356.373	2.9732	-3.675	6	0	6	71.06
Daphneticin	158341	CDB0599	C20H18O8	COC1=CC(=CC(=C1O)OC)C2C(OC3=C(O2)C=CC4=C3OC(=O)C=C4)CO	QLFQDIADUIVNRF-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Daphne tangutica	386.355	1.9047	-3.257	8	2	4	103.68
Daphnin	439499	CDB0600	C15H16O9	C1=CC(=C(C2=C1C=CC(=O)O2)O)OC3C(C(C(C(O3)CO)O)O)O	HOIXTKAYCMNVMY-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Daphne odora	340.283	-1.1833	-1.664	9	5	3	145.91
Daphneside	15101829	CDB0601	C21H26O14	C1=CC(=C(C2=C1C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O	AWXQCKPVCRTEHJ-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Daphne arisanensis	502.423	-3.1726	-1.55	14	8	6	225.06
Celerin	156431	CDB0602	C15H16O4	CC(C)(C=C)C1=CC(=C(C2=C1C=CC(=O)O2)O)OC	KATNIMBVOAPAGX-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Apium graveolens	260.288	2.9325	-3.461	4	1	3	55.76
Stenocarpin	101967104	CDB0603	C12H10O6	COC1=C2C(=CC(=C1O)C(=O)OC)C=CC(=O)O2	ZHVQMCUOORXZKC-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Peucedanum stenocarpum	250.205	0.9947	-2.233	6	1	3	82.06
Apigravin	85982833	CDB0604	C15H16O4	CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O)C	NYTURSQQJRVHPG-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Apium graveolens	260.288	3.1042	-3.031	4	1	3	55.76
Apiumetin	14033997	CDB0605	C20H22O9	CC(=C)C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O	VPAPSBNFWBXZLU-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Apium graveolensApium leptophyllum	406.386	0.5882	-3.038	9	4	4	134.91
Qianhucoumarin G	102004675	CDB0606	C14H14O5	CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O	FVFQELHSZVFPDZ-SECBINFHSA-N	7,8-Dioxygenated Coumarins	Peucedanum praeruptorum	262.26	1.5154	-2.799	5	2	1	75.99
Rutaretin	44146779	CDB0607	C14H14O5	CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)O	FVFQELHSZVFPDZ-SECBINFHSA-N	7,8-Dioxygenated Coumarins	Ruta graveolens	262.26	1.5154	-2.799	5	2	1	75.99
Rutarin (Campesenin)	442149	CDB0608	C20H24O10	CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O)O	JWWFVRMFYKPZNE-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Ruta graveolensSeseli campestre	424.401	-0.4739	-2.685	10	5	4	155.14
Isorutarin	185756	CDB0609	C20H24O10	CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O	QZUDEXAHKXCIDG-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Ruta graveolensApium leptophyllum	424.401	-0.3217	-2.499	10	5	4	155.14
Apiumoside	131752524	CDB0610	C29H30O12	CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O	PUPQENMYBCRTJC-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Apium graveo/ens	570.545	1.5902	-4.153	12	5	8	181.44
Xanthotoxol	65090	CDB0611	C11H6O4	C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)O	JWVYQQGERKEAHW-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Angelica archangelica	202.165	1.6033	-3.233	4	1	0	59.67
Xanthotoxin	4114	CDB0612	C12H8O4	COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	QXKHYNVANLEOEG-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Xanthoxylum senegalenseAmmi majus	216.192	1.879	-3.547	4	0	1	48.67
Imperatorin	10212	CDB0613	C16H14O4	CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	OLOOJGVNMBJLLR-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Imperatoria ostruthiumAegle marmelosAmmi majusAegle marmelos	270.283	3.5483	-4.283	4	0	3	48.67
Isogosferol	148619	CDB0614	C16H14O5	CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O	RTUPRHIHXSAWDP-LBPRGKRZSA-N	7,8-Dioxygenated Coumarins	Prangos lophopteraHeracleum granatense	286.282	2.5932	-4.051	5	1	4	68.9
Prangenin	182251	CDB0615	C16H14O5	CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C	CTJZWFCPUDPLME-NSHDSACASA-N	7,8-Dioxygenated Coumarins	Prangos pabulariaPhebalium drummondii	286.282	2.1175	-4.179	5	0	3	61.2
( + )-Heraclenol	40429858	CDB0616	C16H16O6	CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O	FOINLJRVEBYARJ-NSHDSACASA-N	7,8-Dioxygenated Coumarins	Heracleum candicans	304.297	1.5311	-3.698	6	2	4	89.13
Rivulobirin C	10745970	CDB0617	C32H30O11	CC1(C(OC2(O1)C=CC3=C(O2)C(=C4C(=C3)C=CO4)OCC(C(C)(C)O)O)COC5=C6C(=CC7=C5OC=C7)C=CC(=O)O6)C	RQSPCDMBNUXDLD-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Pleurospermum rivulorum	590.579	4.7239	-7.347	11	2	7	139.19
Rivulobirin D	10769724	CDB0618	C32H30O11	CC1(C(OC2(O1)C=CC3=C(O2)C(=C4C(=C3)C=CO4)OCC(C(C)(C)O)O)COC5=C6C(=CC7=C5OC=C7)C=CC(=O)O6)C	RQSPCDMBNUXDLD-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Pleurospermum rivulorum	590.579	4.7239	-7.347	11	2	7	139.19
Rivulotririn C	100946003	CDB0619	C48H44O16	CC1(C(OC2(O1)C=CC3=C(O2)C(=C4C(=C3)C=CO4)OCC5C(OC6(O5)C=CC7=C(O6)C(=C8C(=C7)C=CO8)OCC(C(C)(C)O)O)(C)C)COC9=C1C(=CC2=C9OC=C2)C=CC(=O)O1)C	ZDTBWUZSYLVEKG-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Pleurospermum rivulorum	876.861	7.9167	-10.996	16	2	10	189.25
Tomasin	24039335	CDB0620	C21H22O7	CC=C(C)C(=O)OC(C)(C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O	QPQHCRKTYXPSQG-HNNXBMFYSA-N	7,8-Dioxygenated Coumarins	Xanthogalum purpurascens	386.399	3.2787	-4.544	7	1	7	95.2
Lansiumarin-C	10498320	CDB0621	C21H22O5	CC(=C)C(CCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)O	DBHLROWQWPSCQG-KRWDZBQOSA-N	7,8-Dioxygenated Coumarins	Clausena lansium	354.401	4.765	-5.027	5	1	7	68.9
Lansiumarin-A	11792299	CDB0622	C21H20O5	CC(=C)C(=O)CCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C	XWVDCVZOOVTJKF-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Clausena lansium	352.385	4.7338	-5.078	5	0	7	65.74
Lansiumarin-B	10499386	CDB0623	C21H22O6	CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)CC=CC(C)(C)OO	NNZMYFZCHMIZMN-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Clausena lansium	370.4	4.6746	-5.17	6	1	7	78.13
Indicolactone (Wampetin)	5375648	CDB0624	C21H18O6	CC1=CC(OC1=O)CC(=CCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C	XVVBVBKVMMNZHB-INIZCTEOSA-N	7,8-Dioxygenated Coumarins	Clausena lansium	366.368	3.4948	-4.816	6	0	5	74.97
Iliensin	349112833	CDB0625	C21H22O4	CC1=C(CC(CC1)(C)C)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3	XCSZAOTVVIRTGB-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Seseli iliense	338.402	4.5659	-5.37	4	0	3	48.67
Seseloside	157904	CDB0626	C20H24O10	CC1(C(CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)OC4C(C(C(C(O4)CO)O)O)O)C	DJNJDDXGDIUVGC-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Seseli peucedanoides	424.401	-0.347	-2.499	10	5	3	155.14
Demethylluvangetin	85917591	CDB0627	C14H12O4	CC1(C=CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)O)C	IJOQSHYTDUMDRC-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Chloroxylon swietenia	244.245	2.1784	-3.333	4	1	0	55.76
Luvangetin	343582	CDB0628	C15H14O4	CC1(C=CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC)C	XYPWCJWXFYYGPA-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Luvanga scandens	258.272	2.4541	-3.647	4	0	1	44.76
Neofolin	44260104	CDB0629	C20H14O7	COC1=CC2=C(C=C1C3=CC4=C(C(=C5C(=C4)C=CO5)OC)OC3=O)OCO2	SUNDAONUHLDQBY-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Neorautenia jicifolia	366.324	3.1756	-5.233	7	0	3	76.36
Benahorin	182169	CDB0630	C17H16O4	CC(C)(C=C)C1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC	IFAIUWDLBBYPMZ-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Ruta pinnata	284.31	3.7298	-4.916	4	0	3	48.67
Alloimperatorin	69502	CDB0631	C16H14O4	CC(=CCC1=C2C=CC(=O)OC2=C(C3=C1C=CO3)O)C	KDXVVZMYSLWJMA-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Aegle marmelosPrangos ornata	270.283	3.6258	-4.172	4	1	2	59.67
Thamontanin	71438820	CDB0632	C17H18O7	CC(C)(C(C(C1=C2C=CC(=O)OC2=C(C3=C1C=CO3)OC)O)O)O	KKURXOIGLKTDKW-UHFFFAOYSA-N	7,8-Dioxygenated Coumarins	Thamnosma montana	334.323	0.8142	-3.353	7	3	4	109.36
Halkendin	609108	CDB0633	C13H10O5	COC1=C(C(=O)OC2=C1C=C3C=COC3=C2)OC	NYELECLICIMRBA-UHFFFAOYSA-N	3,4,7-Trioxygenated Coumarins	Halfordia kendack	246.217	1.9228	-3.249	5	0	2	57.9
Sagecoumarin	15491283	CDB0634	C27H20O12	C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC3=CC4=CC(=C(C=C4OC3=O)O)O)O)O)O	FGLLLJUSIHHQKZ-QHCPKHFHSA-N	3,6,7-Trioxygenated Coumarins	Salvia officinalis	536.444	2.3879	-4.077	12	6	9	200.28
Schinicoumarin	5321163	CDB0635	C12H12O5	COC1=C(C2=C(C=C1)C=C(C(=O)O2)OC)OC	JPCDNRZQWAURND-UHFFFAOYSA-N	3,7,8-Trioxygenated Coumarins	Zanthoxylum schinifolium	236.222	1.2855	-2.465	5	0	3	53.99
Derrusnin	1715307	CDB0636	C19H16O7	COC1=CC2=C(C(=C1)OC)C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)OC	PZYZNVLXKYMURF-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Derris robusta	356.329	2.7697	-3.735	7	0	4	72.45
Aureol	5491648	CDB0637	C15H8O6	C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=CC(=C43)O)O	WIRRQLQRDSREEG-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Phaseolus aureus	284.223	2.495	-4.049	6	3	0	100.13
Norwedelolactone	5489605	CDB0638	C15H8O7	C1=C(C=C2C(=C1O)C3=C(C4=CC(=C(C=C4O3)O)O)C(=O)O2)O	LUTYTNLPIUCKBJ-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Eclipta alba	300.222	2.1493	-3.753	7	4	0	120.36
Glycyrol	5320083	CDB0639	C21H18O6	CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4)O)OC)C	LWESBHWAOZORCQ-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Glycyrrhiza uralensis	366.368	4.7932	-5.302	6	2	3	89.13
Isoglycyrol	124050	CDB0640	C21H18O6	CC1(CCC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C	CFWLRXJPRRCJTI-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Glycyrrhiza sp.Glycyrrhiza uralensis	366.368	4.3069	-5.783	6	1	1	78.13
Gancaonin F	5317482	CDB0641	C21H16O6	CC1(C=CC2=C(O1)C=C3C(=C2OC)C4=C(C5=C(O4)C=C(C=C5)O)C(=O)O3)C	YURHIASRSSMERJ-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Glycyrrhiza sp.	364.352	4.1431	-5.918	6	1	1	78.13
Robustic Acid	54677407	CDB0642	C22H20O6	CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)C	MBZKDBQDALOSRP-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Derris robusta	380.395	3.2571	-4.155	6	1	3	74.22
Robustin	54708253	CDB0643	C22H18O7	CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC5=C(C=C4)OCO5)O)C	LCSCNPZJBMHOJH-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Derris robusta	394.378	3.4385	-4.848	7	1	2	83.45
Scandenin	54676535	CDB0644	C26H26O6	CC(=CCC1=C2C(=C3C(=C1OC)C(=C(C(=O)O3)C4=CC=C(C=C4)O)O)C=CC(O2)(C)C)C	AAKJUGSASOCUFQ-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Derris scandens	434.486	5.0039	-4.78	6	2	4	85.22
Lonchocarpic Acid	54683839	CDB0645	C26H26O6	CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)O)O)C	QKTFIWUHGFCLHF-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Lonchocarpus sp.	434.486	5.0039	-4.78	6	2	4	85.22
Lonchocarpenin	54699185	CDB0646	C27H28O6	CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)OC)O)C	CCYKXDPVYWRNMH-UHFFFAOYSA-N	4,5,7-Trioxygenated Coumarins	Derris scandens	448.513	5.2796	-5.094	6	1	5	74.22
Lucernol	5748586	CDB0647	C15H8O6	C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=CC(=C(C=C43)O)O	CJPXZAMCIOOMNF-UHFFFAOYSA-N	4,6,7-Trioxygenated Coumarins	Medicago sativa	284.223	2.495	-4.049	6	3	0	100.13
Melimessanol A	5319352	CDB0648	C16H10O6	COC1=C(C=C2C(=C1)OC(=O)C3=C2OC4=C3C=CC(=C4)O)O	DZTCHOVSMSHCHK-UHFFFAOYSA-N	4,6,7-Trioxygenated Coumarins	Melilotus messanensis	298.249	2.7707	-4.363	6	2	1	89.13
Tephrosol	14704585	CDB0649	C17H10O7	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4O3)OCO5)C(=O)O2)O	BNMBLJAZXHNNMI-UHFFFAOYSA-N	4,6,7-Trioxygenated Coumarins	Tephrosia villosa	326.259	3.2278	-5.37	7	1	1	87.36
Sativol	3084009	CDB0650	C16H10O6	COC1=C(C2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O	YLRNDYZYIUVEDH-UHFFFAOYSA-N	4,7,8-Trioxygenated Coumarins	Medicago sativa	298.249	2.7707	-4.363	6	2	1	89.13
Puerarostan	14188404	CDB0651	C21H18O6	CC(=CCC1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4OC)O)C	HTBLUBGREJMDMP-UHFFFAOYSA-N	4,7,8-Trioxygenated Coumarins	Pueraria tuberosa	366.368	4.7932	-5.302	6	2	3	89.13
Sophoracoumestan B	11131193	CDB0652	C17H10O7	COC1=C(C=CC2=C1OC(=O)C3=C2OC4=CC5=C(C=C43)OCO5)O	WFBFYJLFWIJBFD-UHFFFAOYSA-N	4,7,8-Trioxygenated Coumarins	Sophora franchetiana	326.259	3.2278	-5.37	7	1	1	87.36
Isofraxetin	10104491	CDB0653	C10H8O5	COC1=C(C(=C2C=CC(=O)OC2=C1)O)O	ICFLIFNKWPXOAM-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Fraxinus potamophila	208.169	0.736	-1.796	5	2	1	75.99
Fraxinol	3047739	CDB0654	C11H10O5	COC1=C(C(=C2C=CC(=O)OC2=C1)OC)O	PBPNOAHYDPHKFH-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Fraxinus excelsior	222.195	1.0117	-2.11	5	1	2	64.99
Umckalin	5316862	CDB0655	C11H10O5	COC1=C(C(=CC2=C1C=CC(=O)O2)O)OC	DVBPETFXQYSHLJ-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Pelargonium reniforme	222.195	1.0117	-2.11	5	1	2	64.99
Mandshurin	11740722	CDB0656	C17H20O10	COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OC3C(C(C(C(O3)CO)O)O)O	VVZGWJFMILUWOO-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Fraxinus mandshurica var. japonica	384.336	-0.9776	-1.996	10	4	5	144.14
Sabandinone	3084572	CDB0657	C15H14O6	CC(C)C(=O)COC1=C2C=CC(=O)OC2=C3C(=C1)OCO3	YVJYYBSLUKPNBK-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Ruta pinnata	290.27	2.0192	-3.751	6	0	4	71.06
Sabandinol	179597	CDB0658	C15H16O7	CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1OCO3)O)O	RDPGEFVUMRTSBB-NSHDSACASA-N	5,6,7-Trioxygenated Coumarins	Ruta pinnataPterocaulon balansae	308.285	1.1909	-3.25	7	2	4	94.45
Aleuritin	139031048	CDB0659	C21H20O9	COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C=CC(=O)OC4=CC(=C3O2)OC)CO	ITFXDKZROOJSKV-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Aleurites fordii	416.381	1.8347	-3.275	9	2	5	112.91
Tomenin	5321970	CDB0660	C17H20O10	COC1=C(C(=C2C=CC(=O)OC2=C1)OC3C(C(C(C(O3)CO)O)O)O)OC	DHNNEMKGTXETQO-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Prunus tomentosa	384.336	-0.9776	-1.996	10	4	5	144.14
Murragleinin	101311688	CDB0661	C17H22O7	CC(C)(C(CC1=C(C(=C(C2=C1OC(=O)C=C2)OC)OC)OC)O)O	HJRKWDUNTXYKKL-NSHDSACASA-N	5,6,7-Trioxygenated Coumarins	Murraya gleinei	338.355	1.2927	-2.778	7	2	6	94.45
Pimpinellin	4825	CDB0662	C13H10O5	COC1=C(C2=C(C=CO2)C3=C1C=CC(=O)O3)OC	BQPRWZCEKZLBHL-UHFFFAOYSA-N	5,6,7-Trioxygenated Coumarins	Pimpinella saxifraga	246.217	1.809	-3.565	5	0	2	57.9
Heraclesol	15596587	CDB0663	C17H18O7	CC(C)(C(COC1=C(C2=C(C3=C1OC=C3)OC(=O)C=C2)OC)O)O	SYCQEMIWUFVJHN-NSHDSACASA-N	5,6,7-Trioxygenated Coumarins	Heracleum leskovii	334.323	1.4611	-3.716	7	2	5	98.36
Leptodactylone	442134	CDB0664	C11H10O5	COC1=CC(=C(C2=C1C=CC(=O)O2)O)OC	TUFLVKBJDSZLAW-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Leptodactylon californicum	222.195	1.0117	-2.11	5	1	2	64.99
Artanin	14841901	CDB0665	C16H18O5	CC(=CCOC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)C	BSOMOYSKROCRIG-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Artemisia tanacetifolia	290.314	2.9567	-3.16	5	0	5	53.99
Sabandinin	44297422	CDB0666	C11H8O5	COC1=C2C=CC(=O)OC2=C3C(=C1)OCO3	QRKSJJWXUFPDKG-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Ruta pinnata	220.18	1.5388	-3.099	5	0	1	53.99
Exostemin	10471697	CDB0667	C18H16O6	COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C(=CC(=C3O)OC)OC	NBXASEHAOQMXCJ-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Exostemma caribaeum	328.319	2.4398	-3.333	6	1	4	74.22
Isopimpinellin	68079	CDB0668	C13H10O5	COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	DFMAXQKDIGCMTL-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Pimpinella saxifraga	246.217	1.809	-3.565	5	0	2	57.9
Phellopterin	98608	CDB0669	C17H16O5	CC(=CCOC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)C	BMLZFLQMBMYVHG-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Phellopterus littoralis	300.309	3.4783	-4.301	5	0	4	57.9
Heracol	15596588	CDB0670	C17H18O6	CC(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O	XRBMPACVVNZLIO-LBPRGKRZSA-N	5,7,8-Trioxygenated Coumarins	Heracleum asperum	318.324	2.3206	-4.166	6	1	5	78.13
Neobyakangelicol	616064	CDB0671	C17H16O6	CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O	UBAMGTKSOKGECF-LBPRGKRZSA-N	5,7,8-Trioxygenated Coumarins	Angelica dahurica	316.308	2.5232	-4.069	6	1	5	78.13
Byakangelicol	3055167	CDB0672	C17H16O6	CC1(C(O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C	ORBITTMJKIGFNH-NSHDSACASA-N	5,7,8-Trioxygenated Coumarins	Angelica glabra	316.308	2.0475	-4.197	6	0	4	70.43
Ferulin	11896611	CDB0673	C15H16O3	CC1C2C=C3C(=CC(=O)C3=C(CC2OC1=O)C)C	FRBORWNVTCITAQ-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Ferula alliaceae	244.289	1.8509	-2.387	3	0	0	43.37
Isobyakangelicol	5318521	CDB0674	C17H16O6	CC(C)C(=O)COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2	GYJATVZZLSOXTA-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Angelica dahurica	316.308	2.2894	-4.217	6	0	5	74.97
Japoangelol A	10393369	CDB0675	C34H40O8	CCCCCCCC=CC(C#CC#CC(C=C)O)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O	DUYUEYQXMSACGP-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Angelica japonica	576.684	6.8211	-10.906	8	2	16	107.59
Japoangelol B	10483256	CDB0676	C34H40O8	CCCCCCCC=CC(C#CC#CC(C=C)OC(C)(C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O	NSWJSXKALYPPSU-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Angelica japonica	576.684	6.8211	-10.906	8	2	16	107.59
Japoangelone	100932293	CDB0677	C18H16O8	CC1(C(OC(=O)O1)COC2=C3C(=C(C4=C2OC(=O)C=C4)OC)C=CO3)C	AUIKCQMXBIJVEL-NSHDSACASA-N	5,7,8-Trioxygenated Coumarins	Angelica japonica	360.317	1.923	-4.794	8	0	4	93.43
Tederin	181629	CDB0678	C15H14O5	CC(C)OC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC	WDWMMTPOXUTHRI-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Ruta pinnata	274.271	2.5746	-4.243	5	0	3	57.9
Cnidilin	821449	CDB0679	C17H16O5	CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C	NNDOCYLWULORAM-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Cnidium dubium	300.309	3.4783	-4.301	5	0	4	57.9
Cnidicin	10043694	CDB0680	C21H22O5	CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC=C(C)C)C	HJMDOAWWVCOEDW-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Cnidium dubium	354.401	5.1476	-5.037	5	0	6	57.9
Apaensin	56776189	CDB0681	C17H16O6	CC(=C)C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O	FEOYRZYUONWQSO-LBPRGKRZSA-N	5,7,8-Trioxygenated Coumarins	Angelica apaensis	316.308	2.5232	-4.069	6	1	5	78.13
Sen-Byakangelicol	156995	CDB0682	C21H22O7	CC1(C(O1)COC2=C3C=COC3=C(C4=C2C=CC(=O)O4)OCC5C(O5)(C)C)C	ZQVSNPBYAYVIGW-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Angelica dahurica	386.399	2.286	-4.829	7	0	6	82.96
Racemosin (Ceylantin)	155148	CDB0683	C16H16O5	CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C	QZUNAFWZEXJWGD-UHFFFAOYSA-N	5,7,8-Trioxygenated Coumarins	Atalantia racemosaAtalantia ceylanica	288.298	2.3841	-3.665	5	0	2	53.99
Fraxetin	5273569	CDB0684	C10H8O5	COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O	HAVWRBANWNTOJX-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Aesculus turbinata	208.169	0.736	-1.796	5	2	1	75.99
Isofraxidin	5318565	CDB0685	C11H10O5	COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O	HOEVRHHMDJKUMZ-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Fraxinus excelsior	222.195	1.0117	-2.11	5	1	2	64.99
Fraxin	5273568	CDB0686	C16H18O10	COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O)O	CRSFLLTWRCYNNX-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Fraxinus excelsiorAesculus paviaFraxinus angustifolia	370.309	-1.2533	-1.682	10	5	4	155.14
Fraxidin	3083616	CDB0687	C11H10O5	COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC	QNFBKOHHLAWWTC-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Fraxinus excelsior	222.195	1.0117	-2.11	5	1	2	64.99
Capensin	644959	CDB0688	C15H16O5	CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1O)OC)C	QJZRVRVZRIXGMR-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Phyllosma capensis	276.287	2.681	-2.846	5	1	4	64.99
Puberulin	3083399	CDB0689	C27H29N3O3	CC(=O)N1C2C(CC3N2C(=O)C(NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C	UHFSGFDEMVYYRX-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Pteronia ciliataAgathosma puberula	443.545	3.7274	-4.802	6	1	4	69.72
Farnochrol	6440748	CDB0690	C26H34O5	CC(=CCCC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C)C	CYGFGZXXQOQUBI-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Artemisia vestita	426.551	7.3003	-5.112	5	0	11	53.99
Epoxyfarnochrol	6440800	CDB0691	C26H34O6	CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)CCC3C(O3)(C)C	SWLXITARPMBYFD-NRFANRHFSA-N	6,7,8-Trioxygenated Coumarins	Achillea ochroleuca	442.55	5.8695	-5.008	6	0	11	66.52
Oxofarnochrol	6440801	CDB0692	C26H34O6	CC(C)C(=O)CCC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C	JFUUVGAEFIKKQY-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Achillea ochroleuca	442.55	6.1114	-5.028	6	0	12	71.06
Creticacoumarin	90473625	CDB0693	C26H34O6	CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)CCC3C(C4CCC3(O4)C)(C)C	ZJBFVSYXUNCNQB-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Anthemis cretica	442.55	4.9586	-5.155	6	0	8	63.22
Isodrimartol	159138	CDB0694	C26H34O6	CC1=CCC2C(C(CCC2(C1COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C)O)(C)C	KGVZBKUYBZGQCZ-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Achillea ochroleuca	442.55	4.2122	-5.007	6	1	5	74.22
Acetylisodrimartol A	159150	CDB0695	C28H36O7	CC1=CCC2C(C(CCC2(C1COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C)OC(=O)C)(C)C	YMIXTMQQHRBULF-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Achillea ochroleuca	484.587	4.6968	-5.417	7	0	7	80.29
Pectachol	78178168	CDB0696	C26H34O6	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C	QISGCNZPAGFKFT-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Tanacetum heterotumum	442.55	4.2905	-5.174	6	1	5	74.22
Acetylpectachol	101317806	CDB0697	C28H36O7	CC1=CCC2C(C(CCC2(C1COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C)OC(=O)C)(C)C	YMIXTMQQHRBULF-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Achillea pseudopectinata	484.587	4.6968	-5.417	7	0	7	80.29
Pectachol B	101317805	CDB0698	C26H34O6	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=C(C=C4C=CC(=O)OC4=C3OC)OC)C	QISGCNZPAGFKFT-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Brocchia cinerea	442.55	4.2905	-5.174	6	1	5	74.22
Dracunculin	5319474	CDB0699	C11H8O5	COC1=C2C(=C3C(=C1)C=CC(=O)O3)OCO2	GHIKZCCKJTXOGO-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Artemisia dracunculoides	220.18	1.5388	-3.099	5	0	1	53.99
Obtusin	155380	CDB0700	C18H16O7	CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)O	CFLNHFUPWNRWJA-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Haplophyllum obtusifolium	344.318	2.4759	-4.536	7	2	3	102.29
(Obtusifol) Purpurasol	11507587	CDB0701	C15H16O6	CC(C)(C1COC2=C(C=C3C=CC(=O)OC3=C2O1)OC)O	MZKOYZNRGQIMIE-JTQLQIEISA-N	6,7,8-Trioxygenated Coumarins	Haplophyllum obtusifoliumPterocaulon purpurascens	292.286	1.5441	-2.928	6	1	2	74.22
Cleomiscosin B	156875	CDB0702	C20H18O8	COC1=C(C=CC(=C1)C2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO)O	XGADTAYOFHOFIW-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Cleome viscosa	386.355	1.9047	-3.257	8	2	4	103.68
Cleomiscosin D	13965876	CDB0703	C21H20O9	COC1=CC(=CC(=C1O)OC)C2C(OC3=C(C=C4C=CC(=O)OC4=C3O2)OC)CO	IXSZNNRKGDOXQI-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Cleome viscosa	416.381	1.8347	-3.275	9	2	5	112.91
(Cleosandrin) Cleomiscosin A	442510	CDB0704	C20H18O8	COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O	OCBGWPJNUZMLCA-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Cleome icosandraCleome viscosa	386.355	1.9047	-3.257	8	2	4	103.68
Cleomiscosin C (Aquillochin)	11464176	CDB0705	C21H20O9	COC1=CC(=CC(=C1O)OC)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO	GZXPCBAETDEQAX-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Aquilaria agallochaCleome viscosa	416.381	1.8347	-3.275	9	2	5	112.91
Eleutheroside B1	12302278	CDB0706	C17H20O10	COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O	IKUQEFGEUOOPGY-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Elutherococcus senticosus	384.336	-0.9776	-1.996	10	4	5	144.14
Isofraxoside	11508953	CDB0707	C16H18O10	COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OC3C(C(C(C(O3)CO)O)O)O	RVWWDDKOKZXKCJ-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Poliothyris sinensisHaplophyllum obtusifolium	370.309	-1.2533	-1.682	10	5	4	155.14
Calycanthoside	5318566	CDB0708	C17H20O10	COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC3C(C(C(C(O3)CO)O)O)O	IKUQEFGEUOOPGY-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Calycanthus occidentalis	384.336	-0.9776	-1.996	10	4	5	144.14
Obtusidin	5416980	CDB0709	C15H16O5	CC(C)(C=C)C1=CC2=CC(=C(C(=C2OC1=O)O)O)OC	DKHNSBVDPXUWGV-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Haplophyllum obtusifoliumbtusifolium	276.287	2.6836	-2.736	5	2	3	75.99
Kuhlmannin	4412068	CDB0710	C17H14O5	COC1=C(C=C2C(=CC(=O)OC2=C1OC)C3=CC=CC=C3)O	ABUBCBFUQXIEAU-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Machaerium kuhlmannii	298.293	2.5098	-3.315	5	1	3	64.99
Obtusiprenin	23263155	CDB0711	C15H16O5	CC(=CCC1=C2C=CC(=O)OC2=C(C(=C1OC)O)O)C	VCQOFWFYLXOGFZ-UHFFFAOYSA-N	6,7,8-Trioxygenated Coumarins	Haplophylllum obtusifolium	276.287	2.7585	-2.735	5	2	3	75.99
Halfordin	623929	CDB0712	C14H12O6	COC1=C2C=COC2=CC3=C1C(=C(C(=O)O3)OC)OC	SHOQQSABOUVQLJ-UHFFFAOYSA-N	3,4,5,7-Tetraoxygenated Coumarins	Halfordia scleroxyla	276.243	1.8528	-3.267	6	0	3	67.13
Halfordinin	621713	CDB0713	C18H18O6	CC(C)(C=C)OC1=C(C(=O)OC2=C1C(=C3C=COC3=C2)OC)OC	CJRBHIKORKDQEC-UHFFFAOYSA-N	3,4,5,7-Tetraoxygenated Coumarins	Halfordia kendack	330.335	3.2679	-4.263	6	0	5	67.13
Pereflorin B	71439576	CDB0714	C13H12O7	COC1=C2C(=C(C(=C1)O)C=O)C(=C(C(=O)O2)OC)OC	UYQUBLIVXOKOHE-UHFFFAOYSA-N	3,4,6,8-Tetraoxygenated Coumarins	Perezia multiflora	280.231	0.9888	-2.136	7	1	4	91.29
Isohalfordin	623933	CDB0715	C14H12O6	COC1=C(C(=O)OC2=C1C=C3C=COC3=C2OC)OC	NGCYDEYEPDYBIX-UHFFFAOYSA-N	3,4,7,8-Tetraoxygenated Coumarins	Halfordia scleroxyla	276.243	1.8528	-3.267	6	0	3	67.13
Thonningine-B	54715762	CDB0716	C23H20O7	CC(=C)C1=CC2=C(O1)C(=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)OC	JFOIHGHOZIMXTP-UHFFFAOYSA-N	4,5,7,8-Tetraoxygenated Coumarins	Milletia thonningii	408.405	3.5893	-4.631	7	1	5	87.36
Thonningine-A	54715763	CDB0717	C23H18O8	CC(=C)C1=CC2=C(O1)C(=C3C(=C2OC)C(=C(C(=O)O3)C4=CC5=C(C=C4)OCO5)O)OC	DHHUFQCTMOFVTD-UHFFFAOYSA-N	4,5,7,8-Tetraoxygenated Coumarins	Milletia thonningii	422.388	3.7707	-5.324	8	1	4	96.59
Purpurasolol	15287104	CDB0718	C15H16O7	CC(C)(C1COC2=C(C(=C3C=CC(=O)OC3=C2O1)O)OC)O	WNUVTZZRMSEUGI-QMMMGPOBSA-N	5,6,7,8-Tetraoxygenated Coumarins	Pterocaulon purpurascens	308.285	1.1984	-2.632	7	2	2	94.45
Artelin	3085344	CDB0719	C15H18O5	CC1C2C(CC(=C3C(C2OC1=O)C(=C(C3=O)O)C)C)O	WAYMPCOVWDCPAY-UHFFFAOYSA-N	Biscoumarins	Artemisia tridentata ssp. vaseyanaSapium sebiferum	278.303	0.6035	-2.183	5	2	0	83.83
Purpurenol	15689635	CDB0720	C16H18O7	CC(C)(C1COC2=C(O1)C3=C(C=CC(=O)O3)C(=C2OC)OC)O	CWLINRWSQJGKGK-VIFPVBQESA-N	Biscoumarins	Pterocaulon purpurascens	322.312	1.4741	-2.946	7	1	3	83.45
Sabandin	46226658	CDB0721	C12H10O6	COC1=C2C(=C(C3=C1C=CC(=O)O3)OC)OCO2	LDCAQGBKMDSYGC-UHFFFAOYSA-N	Biscoumarins	Ruta pinnata	250.205	1.4688	-3.117	6	0	2	63.22
Toddasiatin	102066705	CDB0722	C30H26O8	CC1(C=CC2=C3C(=CC(=C2O1)OC)C=C(C(=O)O3)C4=CC5=CC(=C6C(=C5OC4=O)C=CC(O6)(C)C)OC)C	BLTGXURRTDMAEA-UHFFFAOYSA-N	Biscoumarins	Toddalia asiatica	514.528	4.8114	-6.558	8	0	3	89.52
Aflavarin	44584646	CDB0723	C24H22O9	CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C4=C(C=C(C=C4OC3=O)OC)CO)OC)OC	PQHCPIZEGQBDDY-UHFFFAOYSA-N	Biscoumarins	Aspergillus flavus	454.43	2.2884	-3.667	9	1	6	109.75
Ipomopsin	5491777	CDB0724	C20H14O8	COC1=C(C(=C2C(=C1)C=CC(=O)O2)C3=CC4=CC(=C(C=C4OC3=O)O)OC)O	VASZAOYNXAEKGP-UHFFFAOYSA-N	Biscoumarins	Ipomopsis aggregata	382.323	1.759	-3.525	8	2	3	111.52
Euphorbetin	5317297	CDB0725	C18H10O8	C1=CC(=O)OC2=C1C(=C(C(=C2)O)O)C3=C(C(=CC4=C3C=CC(=O)O4)O)O	MFAPGDLENWJYSK-UHFFFAOYSA-N	Biscoumarins	Euphorbia lathyris	354.269	1.6116	-4.026	8	4	1	133.52
Isokotanin C	10476651	CDB0726	C22H18O8	CC1=C(C(=CC2=C1C(=CC(=O)O2)OC)O)C3=C(C4=C(C=C3O)OC(=O)C=C4OC)C	KUAZKXCKFDVOGA-UHFFFAOYSA-N	Biscoumarins	Aspergillus alliaceus	410.377	3.0822	-4.628	8	2	3	111.52
Isokotanin B	10432452	CDB0727	C23H20O8	CC1=C(C(=CC2=C1C(=CC(=O)O2)OC)O)C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC	SFRGEKKETJXWMS-UHFFFAOYSA-N	Biscoumarins	Aspergillus alliaceus	424.404	3.3579	-4.942	8	1	4	100.52
Isokotanin A	10950208	CDB0728	C24H22O8	CC1=C2C(=CC(=C1C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC)OC)OC(=O)C=C2OC	YZMPQQODLHAXHU-UHFFFAOYSA-N	Biscoumarins	Aspergillus alliaceus	438.431	3.6336	-5.256	8	0	5	89.52
Bhubaneswin	5379164	CDB0729	C19H12O6	COC1=C(C=C2C=CC(=O)OC2=C1)C3=C(C=CC4=C3OC(=O)C=C4)O	FPNXOLDQQJUBJG-UHFFFAOYSA-N	Biscoumarins	Boenninghausenia albiflora	336.298	2.5787	-4.932	6	1	2	82.06
Matsukazelactone	5319307	CDB0730	C20H14O6	COC1=C(C2=C(C=C1)C=CC(=O)O2)C3=C(C=C4C(=C3)C=CC(=O)O4)OC	NFNSSVSQSNJVCR-UHFFFAOYSA-N	Biscoumarins	Boenninghausenia albiflora var. japonica	350.325	2.8544	-5.246	6	0	3	71.06
Desertorin A	13871793	CDB0731	C22H18O8	CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C4=C(C=C3O)OC(=O)C=C4OC)C)O	PRMZXICFBUXBCX-UHFFFAOYSA-N	Biscoumarins	Emericella desertorum	410.377	3.0822	-4.628	8	2	3	111.52
Desertorin B	13871794	CDB0732	C23H20O8	CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C4=C(C=C3O)OC(=O)C=C4OC)C)OC	SDIIWOICLXDNES-UHFFFAOYSA-N	Biscoumarins	Emericella desertorum	424.404	3.3579	-4.942	8	1	4	100.52
Desertorin C	11374006	CDB0733	C24H22O8	CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C4C(=C3C)C(=CC(=O)O4)OC)OC)OC	RUZBPHMKHKBGQD-UHFFFAOYSA-N	Biscoumarins	Emericella desertorum	438.431	3.6336	-5.256	8	0	5	89.52
Edgeworoside C	101835682	CDB0734	C24H20O10	CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C=CC(=O)O3)C4=C(C=CC5=C4OC(=O)C=C5)O)O)O)O	DQEAAVKYRCHQOQ-UHFFFAOYSA-N	Biscoumarins	Edgeworthia chrysantha	468.413	1.2404	-5.011	10	4	3	151.98
Orlandin	5484238	CDB0735	C22H18O8	CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)O)O	SSGXAFNGBRRLQM-UHFFFAOYSA-N	Biscoumarins	Aspergillus niger	410.377	3.0822	-4.628	8	2	3	111.52
Kotanin	34059	CDB0736	C24H22O8	CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)OC	CSJOUDOXDHMIAH-UHFFFAOYSA-N	Biscoumarins	Aspergillus glaucus	438.431	3.6336	-5.256	8	0	5	89.52
Gulsamanin	100968115	CDB0737	C25H22O13	COC1=CC2=CC(=C(C(=C2OC1=O)C3=C(C=CC4=C3OC(=O)C=C4)OC5C(C(C(C(O5)CO)O)O)O)O)O	NOSNPRHQZMFYES-UHFFFAOYSA-N	Biscoumarins	Daphne oleoides	530.437	-0.1039	-4.267	13	6	5	201.67
Edgeworin	10925304	CDB0738	C18H10O6	C1=CC(=CC2=C1C=CC(=O)O2)OC3=CC4=C(C=C(C=C4)O)OC3=O	WNLKKLCKMRDNHF-UHFFFAOYSA-N	Biscoumarins	Edgeworthia chrysantha	322.271	2.4351	-4.216	6	1	2	82.06
Edgeworthin	5491526	CDB0739	C18H10O7	C1=CC(=CC2=C1C=CC(=O)O2)OC3=CC4=CC(=C(C=C4OC3=O)O)O	IBZKIELXVOINHR-UHFFFAOYSA-N	Biscoumarins	Edgeworthia gardneri	338.27	2.0894	-3.92	7	2	2	102.29
Daphnoretin	5281406	CDB0740	C19H12O7	COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O	JRHMMVBOTXEHGJ-UHFFFAOYSA-N	Biscoumarins	Daphne mezereum	352.297	2.3651	-4.234	7	1	3	91.29
(Isodaphnoretin)	5318544	CDB0741	C20H14O7	COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)OC	BCLNKNUUTUITEA-UHFFFAOYSA-N	Biscoumarins	Ruta graveolensStellera chamaejasme	366.324	2.6408	-4.548	7	0	4	80.29
Daphnorin (Chamaejasmoside)	185819	CDB0742	C25H22O12	COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)OC5C(C(C(C(O5)CO)O)O)O	WYIIRKFHBPIFQZ-UHFFFAOYSA-N	Biscoumarins	Daphne mezereumStellera chamaejasme	514.438	0.3758	-4.12	12	4	6	170.44
Rutarensin	11958880	CDB0743	C31H30O16	CC(CC(=O)O)(CC(=O)OCC1C(C(C(C(O1)OC2=C(C=C3C=C(C(=O)OC3=C2)OC4=CC5=C(C=C4)C=CC(=O)O5)OC)O)O)O)O	ZTLZGWDERZVHNS-UHFFFAOYSA-N	Biscoumarins	Ruta chalepensis	658.563	0.3061	-4.525	16	5	12	234.04
Rivulobirin B	91885013	CDB0744	C23H12O9	COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC4=C5C=COC5=C(C6=C4C=CC(=O)O6)O	QYUOMKFQMCEXAF-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	432.339	3.2183	-7.461	9	1	3	117.57
Marshdimerin	15336444	CDB0745	C48H54O8	CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C(=C3)C(C)(C)C=C)OC4=C5C(=C(C6=C4OC(=O)C(=C6)C(C)(C)C=C)OC(C)(C)C=C)C=CC(O5)(C)C)C	NBUQNPBZWAGFSQ-UHFFFAOYSA-N	Biscoumarins	Citrus paradisi	758.949	11.875	-12.202	8	0	11	89.52
Boennin	15380215	CDB0746	C19H12O8	COC1=C(C2=C(C=C1)C=CC(=O)O2)OC3=C(C=C(C4=C3OC(=O)C=C4)O)O	UOWOBKCJCCNEOP-UHFFFAOYSA-N	Biscoumarins	Boenninghausenia albiflora	368.296	1.9694	-4.847	8	2	3	111.52
Lasioerin	85976174	CDB0747	C18H8O5	C1=CC(=O)OC2=CC3=C(C=C21)C4=C(O3)C=C5C(=C4)C=CC(=O)O5	AWAIQKLPNLKRRV-UHFFFAOYSA-N	Biscoumarins	Lasiosiphon eriocephalus	304.257	3.1037	-5.784	5	0	0	65.74
Dicoumarol	54676038	CDB0748	C19H12O6	C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O	DOBMPNYZJYQDGZ-UHFFFAOYSA-N	Biscoumarins	Melilotus alba	336.298	2.588	-3.34	6	2	2	93.06
Gerberinol	54714260	CDB0749	C21H16O6	CC1=C2C(=CC=C1)OC(=O)C(=C2O)CC3=C(C4=C(C=CC=C4OC3=O)C)O	JUCUEMBIORWHSB-UHFFFAOYSA-N	Biscoumarins	Gerbera lanuginosa	364.352	3.2758	-4.028	6	2	2	93.06
Ismailin	135454728	CDB0750	C31H20O9	CC1=C2C(=CC=C1)OC(=O)C(=C2O)C3=C(C(=O)C4=C(C3=O)C=C(C=C4O)C)C5=C(C6=C(C=CC=C6OC5=O)C)O	ANMHSKMVWXRFBM-UHFFFAOYSA-N	Biscoumarins	Diospyros ismaili	536.491	4.1622	-5.912	9	3	2	147.43
Bisosthenone B	14409176	CDB0751	C28H24O8	CC(=O)C1C(C(C1C(=O)C)C2=C(C=CC3=C2OC(=O)C=C3)OC)C4=C(C=CC5=C4OC(=O)C=C5)OC	WZTQDHIHDRTWFQ-UHFFFAOYSA-N	Biscoumarins	Citrus paradisi	488.491	3.7338	-5.784	8	0	6	105.2
Bisnorponcitrin	10416480	CDB0752	C38H40O8	CC1(CC(C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=CC5=C(C6=C(C(=C5OC4=O)C(C)(C)C=C)OC(C=C6)(C)C)O)C	FURJBUFALVRNOD-QHCPKHFHSA-N	Biscoumarins	Citrus hassaku	624.728	8.3642	-8.777	8	2	5	111.52
Nordenletin	101610963	CDB0753	C33H32O8	CC1(CC(C2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=C5C(=C(C6=C4OC(C=C6)(C)C)O)C=CC(=O)O5)C	FHJQQVOVOMBWAA-IBGZPJMESA-N	Biscoumarins	Citrus hassaku	556.609	5.6556	-7.433	8	2	3	111.52
Yukomarin	15372935	CDB0754	C43H46O8	CC1(C(=CC2=C(O1)C(=C3C(=C2O)C=CC(=O)O3)C(C)(C)C=C)C4=CC5=C(C(=C6C(=C5O)C=C(C(=O)O6)C(C)(C)C=C)C(C)(C)C=C)OC4(C)C)C	DEFSZYOYXZUSJE-UHFFFAOYSA-N	Biscoumarins	Citrus yuko	690.83	9.9092	-9.608	8	2	7	111.52
Biseselin	15372934	CDB0755	C28H22O6	CC1(C=CC2=C(O1)C=CC3=C2OC(=O)C=C3)CCC4(C=CC5=C(O4)C=CC6=C5OC(=O)C=C6)C	JYTSMNNMPDDZLB-UHFFFAOYSA-N	Biscoumarins	Citrus yuko	454.477	4.9798	-6.814	6	0	3	71.06
Thamnosin	5377043	CDB0756	C30H28O6	CC1=CC(C(CC1)(C)C=CC2=C(C=C3C(=C2)C=CC(=O)O3)OC)C4=C(C=C5C(=C4)C=CC(=O)O5)OC	SWGAQLQAABDHGT-UHFFFAOYSA-N	Biscoumarins	Thamnosma montanaZanthoxylum suberosum	484.546	5.8706	-6.7	6	0	5	71.06
Toddalosin	15071281	CDB0757	C32H34O9	CC1=CC(C(C(C1)(C)C)C(C2=C(C=C(C3=C2OC(=O)C=C3)OC)OC)O)C4=C(C=C(C5=C4OC(=O)C=C5)OC)OC	VCSIERORKAMAIV-UHFFFAOYSA-N	Biscoumarins	Toddalia asiatica	562.613	4.5987	-5.943	9	1	7	109.75
Khelmarin-D	101696939	CDB0758	C28H24O7	CC1(C=CC2=C(O1)C=C(C3=C2OC(=O)C=C3)C4C(C(OC5=C4C6=C(C=C5)C=CC(=O)O6)(C)C)O)C	XTSWFMOZIXMCPS-UHFFFAOYSA-N	Biscoumarins	Citrus paradisi	472.492	3.6441	-6.257	7	1	1	91.29
Khelmarin-C	85137098	CDB0759	C38H40O8	CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C(=C3)C(C)(C)C=C)OC4C(C(OC5=C4C6=C(C=C5)C=CC(=O)O6)(C)C)O)C	WHUBSMIUXWASLV-UHFFFAOYSA-N	Biscoumarins	Citrus hassaku	624.728	7.7181	-8.326	8	1	6	100.52
Gigasol	101419857	CDB0760	C30H34O11	CC(C)(C(CC1=C(C(=C2C(=C1)C=CC(=O)O2)COCC3=C4C(=CC(=C3O)CC(C(C)(C)O)O)C=CC(=O)O4)O)O)O	MDNQVRKYHGPJNA-UHFFFAOYSA-N	Biscoumarins	Angelica gigas	570.589	1.9031	-4.575	11	6	10	183.21
Ferulenoloxyferulenol	101607469	CDB0761	C48H58O7	CC(=CCCC(=CC(CC(=CCC1=C(C2=CC=CC=C2OC1=O)O)C)OCC(=CCCC(=CCCC(=CCC3=C(C4=CC=CC=C4OC3=O)O)C)C)C)C)C	DZZBDBJVZYCYGH-KXQOOQHDSA-N	Biscoumarins	Ferula communis var. genuina	746.982	14.068	-8.415	7	2	19	102.29
Candicanin	12302378	CDB0762	C32H28O10	CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)COC(C)(C)C(COC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5)O	GLGOFDCTFNYYFK-QHCPKHFHSA-N	Biscoumarins	Heracleum candicans	572.564	4.9364	-7.425	10	1	10	126.8
Rivulobirin A	10030966	CDB0763	C32H28O10	CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)OC(C)(C)C(COC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5)O	AVODUFXCUYKMAY-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	572.564	4.908	-7.7	10	1	10	126.8
Rivulobirin E	10674926	CDB0764	C32H30O11	CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)OC(COC4=C5C(=CC6=C4OC=C6)C=CC(=O)O5)C(C)(C)O	OIZNBPDWHFCLKY-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	590.579	3.8459	-7.347	11	2	10	147.03
Rivulobirin F	101245349	CDB0765	C32H28O9	CC(=CCOC1=C2C(=CC3=C1OC4(C=C3)OC(C(O4)(C)C)COC5=C6C(=CC7=C5OC=C7)C=CC(=O)O6)C=CO2)C	QXTLFIIWXJPGQM-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	556.565	6.7411	-7.932	9	0	6	98.73
Rivulobirin G	101245350	CDB0766	C32H28O9	CC(=CCOC1=C2C(=CC3=C1OC4(C=C3)OC(C(O4)(C)C)COC5=C6C(=CC7=C5OC=C7)C=CC(=O)O6)C=CO2)C	QXTLFIIWXJPGQM-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	556.565	6.7411	-7.932	9	0	6	98.73
Citrumarin-C	9984773	CDB0767	C33H32O7	CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=C6C(=C5)C=CC(=O)O6)O)C	ZPFUGLLYQXUCTE-UHFFFAOYSA-N	Biscoumarins	Poncirus trifoliataCitrus paradisi	540.61	6.9483	-7.85	7	1	4	91.29
Citrumarin-D	10098798	CDB0768	C33H32O7	CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=C6C(=C5)C=CC(=O)O6)O)C	ZPFUGLLYQXUCTE-UHFFFAOYSA-N	Biscoumarins	Poncirus trifoliataCitrus paradisi	540.61	6.9483	-7.85	7	1	4	91.29
Citrumarin-B	11757064	CDB0769	C33H32O7	CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=CC6=C5OC(=O)C=C6)O)C	UYRKZIRGOMUSBM-UHFFFAOYSA-N	Biscoumarins	Poncirus trifoliataCitrus paradisi	540.61	6.9483	-7.85	7	1	4	91.29
Citrumarin -A	10347631	CDB0770	C34H34O7	CC1(CC2CC(OC3=C2C(=C(C4=C3C=CC(=O)O4)C(C)(C)C=C)O1)(C)C=CC5=C(C=CC6=C5OC(=O)C=C6)OC)C	HWZJQFNBCNCTQJ-UHFFFAOYSA-N	Biscoumarins	Poncirus trifoliataCitrus paradisi	554.637	7.224	-8.164	7	0	5	80.29
Furobinordentatin	10009319	CDB0771	C38H40O9	CC1(C2C3C(C4=C(C(=C5C(=C4O)C=CC(=O)O5)C(C)(C)C=C)OC3(C)C)OC2C6=C(O1)C(=C7C(=C6O)C=CC(=O)O7)C(C)(C)C=C)C	DANYDCOFKKXSPK-UHFFFAOYSA-N	Biscoumarins	Citrus yuko	640.727	7.0498	-7.855	9	2	4	120.75
Claudimerin-A	10557046	CDB0772	C48H54O8	CC1(C2C3C4C(C(OC5=C(C6=C(C=C(C(=O)O6)C(C)(C)C=C)C(=C45)O2)C(C)(C)C=C)(C)C)OC7=C3C(=C(C8=C7C=C(C(=O)O8)C(C)(C)C=C)C(C)(C)C=C)O1)C	WJAGAVCAFLENPA-UHFFFAOYSA-N	Biscoumarins	Citrus hassaku	758.949	12.32	-11.302	8	0	8	89.52
Claudimerin-B	10700309	CDB0773	C48H54O8	CC1(C2C3C4C(C(OC5=C(C6=C(C=C(C(=O)O6)C(C)(C)C=C)C(=C45)O2)C(C)(C)C=C)(C)C)OC7=C3C(=C(C8=C7C=C(C(=O)O8)C(C)(C)C=C)C(C)(C)C=C)O1)C	WJAGAVCAFLENPA-UHFFFAOYSA-N	Biscoumarins	Citrus hassaku	758.949	12.32	-11.302	8	0	8	89.52
Rivulotririn A	100928217	CDB0774	C48H42O15	CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)OC(C)(C)C(COC4=C5C(=CC6=C4OC7(C=C6)OC(C(O7)(C)C)COC8=C9C(=CC1=C8OC=C1)C=CC(=O)O9)C=CO5)O	NTWDPJZQXCEWOS-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	858.846	8.1008	-11.349	15	1	13	176.86
Rivulotririn B	100928218	CDB0775	C48H42O15	CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)OC(C)(C)C(COC4=C5C(=CC6=C4OC7(C=C6)OC(C(O7)(C)C)COC8=C9C(=CC1=C8OC=C1)C=CC(=O)O9)C=CO5)O	NTWDPJZQXCEWOS-UHFFFAOYSA-N	Biscoumarins	Pleurospermum rivulorum	858.846	8.1008	-11.349	15	1	13	176.86
Triumbelletin	14213530	CDB0776	C27H14O9	C1=CC(=CC2=C1C=CC(=O)O2)OC3=CC4=C(C(=C(C=C4)O)C5=C(C=CC6=C5OC(=O)C=C6)O)OC3=O	GDHDMCIEKMVPIP-UHFFFAOYSA-N	Triscoumarins	Daphne mezereum	482.399	3.5864	-6.76	9	2	3	128.59
Floribin	71440520	CDB0777	C10H8O4	COC1=C(C2=C(C=C1)OC(=O)C=C2)O	CIWXNUFLRXYBQV-UHFFFAOYSA-N	Hydroxycoumarins	Fraxinus jioribunda	192.17	1.0817	-2.092	4	1	1	55.76
Seshadrin	10358251	CDB0778	C17H14O6	COC1=C(C=C(C=C1)C2=CC(=O)OC3=C2C(=CC(=C3)O)OC)O	XPCAYUFAARQBKK-UHFFFAOYSA-N	Neoflavonoid	Dalbergia volubilis	314.292	2.1641	-3.019	6	2	3	85.22
Fatagarin	14216095	CDB0779	C19H12O6	COC1=C(C2=C(C=C1)C=CC(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4	BVMUPTMVWGAFQA-UHFFFAOYSA-N	Biscoumarins	Ruta oreojasme	336.298	2.6608	-5.439	6	0	3	71.06
Bruceol	256517	CDB0780	C19H20O5	CC1(C2CCC3(C(C2C4=C(O1)C=C5C(=C4O3)C=CC(=O)O5)O)C)C	AINCADFEINJXSR-UHFFFAOYSA-N	Simple coumarins	Dipteryx odorata	328.363	2.9564	-4.33	5	1	0	64.99
(E)-4-Hydroxycinnamic Acid	44477820	CDB0781	C22H22O12	C1=CC(=CC=C1C=CC(=O)OC2C(C(C(C(O2)CO)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O	QBHFEZBXVAOTDL-UHFFFAOYSA-N	Simple coumarins	Dipteryx odorata	478.405	0.1824	-2.095	12	7	8	203.44
Ayapanin	10748	CDB0782	C10H8O3	COC1=CC2=C(C=C1)C=CC(=O)O2	LIIALPBMIOVAHH-UHFFFAOYSA-N	Simple coumarins	Murraya alata	176.171	1.4274	-2.388	3	0	1	35.53
6,8-Dihydroxycoumarin	90473800	CDB0783	C9H6O4	C1=CC(=O)OC2=C(C=C(C=C21)O)O	PDPMKNTXNMBIPY-UHFFFAOYSA-N	Simple coumarins	Alyxia schlechteri	178.143	0.806	-1.778	4	2	0	66.76
6-Hydroxycoumarin	99477	CDB0784	C9H6O3	C1=CC2=C(C=CC(=O)O2)C=C1O	CJIJXIFQYOPWTF-UHFFFAOYSA-N	Simple coumarins	Prangos pabularia	162.144	1.1517	-2.074	3	1	0	46.53
Daphnetin-7-Methyl Ether	146487	CDB0785	C10H8O4	COC1=C(C2=C(C=C1)C=CC(=O)O2)O	KIGCGZUAVODHMD-UHFFFAOYSA-N	Simple coumarins	Feroniella lucida	192.17	1.0817	-2.092	4	1	1	55.76
7-Methoxy-8-Methylcoumarin	11217720	CDB0786	C11H10O3	CC1=C(C=CC2=C1OC(=O)C=C2)OC	PCTKIMBTXIYGBB-UHFFFAOYSA-N	Simple coumarins	Micromelum minutum	190.197	1.7713	-2.732	3	0	1	35.53
Scopoletin	5280460	CDB0787	C10H8O4	COC1=C(C=C2C(=C1)C=CC(=O)O2)O	RODXRVNMMDRFIK-UHFFFAOYSA-N	Simple coumarins	Calendula officinalis	192.17	1.0817	-2.092	4	1	1	55.76
6,7,8-Trimethoxycoumarin	3083928	CDB0788	C12H12O5	COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)OC	RAYQKHLZHPFYEJ-UHFFFAOYSA-N	Simple coumarins	Chroogomphus rutilus	236.222	1.2874	-2.424	5	0	3	53.99
7-Hydroxy-6,8-Dimethoxy-3-(4'-Hydroxy-3'-Methoxyphenyl)-Coumarin	132279711	CDB0789	C18H16O7	COC1=C(C=CC(=C1)C2=CC3=CC(=C(C(=C3OC2=O)OC)O)OC)O	DEBLTYHWROUUSK-UHFFFAOYSA-N	Simple coumarins	Micromelum integerrimum	344.318	1.8512	-2.789	7	2	4	94.45
Edgeworic Acid	102234402	CDB0790	C18H14O7	C1=CC(=C(C2=C1C=CC(=O)O2)OC3=CC(=C(C=C3)CCC(=O)O)O)O	JAKWMPXIUWFSIA-UHFFFAOYSA-N	Simple coumarins	Edgeworthia chrysantha	342.302	2.1392	-4.323	7	3	5	113.29
Dryofracoumarin A	102236068	CDB0791	C14H16O4	CC1=CC2=C(C(=C1OC)O)OC(=O)C=C2C(C)C	YUDKCHUOSDKDSU-UHFFFAOYSA-N	Simple coumarins	Dryopteris fragrans	248.277	2.1765	-2.595	4	1	2	55.76
Hymexelsin	14136086	CDB0792	C21H26O13	COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O	DCERMUGUBKSKBM-UHFFFAOYSA-N	Simple coumarins	Pauridiantha callicarpoides	486.424	-2.2613	-1.538	13	6	7	193.83
Pedilanthocoumarin B	57412145	CDB0793	C27H22O5	CC(=CCC1=C(C2=C(C(=C1O)C(=O)C3=CC=CC=C3)OC(=O)C=C2C4=CC=CC=C4)O)C	GQLIHCFGTZHRID-UHFFFAOYSA-N	Simple coumarins	Mammea neurophylla	426.467	5.4566	-6.022	5	2	5	83.83
6-Hydroxy-3-(4-Hydroxyphenyl)-7-Methoxy-2H-Chromen-2-One)	132279934	CDB0794	C16H12O5	COC1=C(C=C2C=C(C(=O)OC2=C1)C3=CC=C(C=C3)O)O	UIMVIDVXEYHNEQ-UHFFFAOYSA-N	Simple coumarins	Nicotiana tabacum	284.266	1.9912	-2.753	5	2	2	75.99
Talacoumarin A	101907546	CDB0795	C13H14O5	CC(CC1=CC2=CC(=CC(=C2OC1=O)O)OC)O	YQILNNCHDIUIAD-ZETCQYMHSA-N	Simple coumarins	Talaromyces flavus	250.249	1.4089	-2.357	5	2	3	75.99
Talacoumarin B	101907547	CDB0796	C13H14O5	CC(CC1=CC2=CC(=CC(=C2OC1=O)OC)O)O	JJPPIWBBVUMFEW-ZETCQYMHSA-N	Simple coumarins	Talaromyces flavus	250.249	1.4089	-2.357	5	2	3	75.99
Gerberinside	196468	CDB0797	C16H18O8	CC1=C2C(=CC=C1)OC(=O)C=C2OC3C(C(C(C(O3)CO)O)O)O	DXBGTODWNFZHCD-UHFFFAOYSA-N	Simple coumarins	Ainsliaea fragrans	338.311	-0.378	-1.947	8	4	3	125.68
3,8-Dihydroxy-4-(4-Hydroxyphenyl)-6-Methylcoumarin	122187017	CDB0798	C16H12O5	CC1=CC2=C(C(=C1)O)OC(=O)C(=C2C3=CC=C(C=C3)O)O	MDZOYIWYLUYJEL-UHFFFAOYSA-N	Simple coumarins	Tolypocladium cylindrosporum	284.266	2.1482	-3.258	5	3	1	86.99
3-Hydroxycoumarin	13650	CDB0799	C9H6O3	C1=CC=C2C(=C1)C=C(C(=O)O2)O	MJKVTPMWOKAVMS-UHFFFAOYSA-N	Simple coumarins	Alyxia schlechteri	162.144	0.9976	-2.301	3	1	0	46.53
7-(4-Hydroxyphenyl)-6H-[1,3]Dioxolo[4,5-G]Chromen-6-One	129882663	CDB0800	C16H10O5	C1OC2=C(O1)C=C3C(=C2)C=C(C(=O)O3)C4=CC=C(C=C4)O	QMWXDXCJUQAKSW-UHFFFAOYSA-N	Simple coumarins	Nicotiana tabacum	282.25	2.5183	-3.742	5	1	1	64.99
7-(2-Hydroxy-3,4-Dimethoxyphenyl)-6H-[1,3]Dioxolo[4,5-G]Chromen-6-One)	129882653	CDB0801	C18H14O7	COC1=C(C(=C(C=C1)C2=CC3=CC4=C(C=C3OC2=O)OCO4)O)OC	IXQPKAKYTZPWSV-UHFFFAOYSA-N	Simple coumarins	Nicotiana tabacum	342.302	2.3783	-3.778	7	1	3	83.45
4-Methyl-6,7-Dihydroxycoumarin	5319502	CDB0802	C10H8O4	CC1=CC(=O)OC2=CC(=C(C=C12)O)O	KVOJTUXGYQVLAJ-UHFFFAOYSA-N	Simple coumarins	Nicotiana tabacum	192.17	0.8842	-1.507	4	2	0	66.76
4,6-Dihydroxy-7-Formyl-3-Methylcoumarin	132281580	CDB0803	C11H8O5	CC1=C(C2=C(C=C(C(=C2)O)C=O)OC1=O)O	IHYVHXNAQASRMF-UHFFFAOYSA-N	Simple coumarins	Pestalotiopsis versicolor	220.18	1.143	-2.055	5	2	1	83.83
Peucedanol	15296614	CDB0804	C14H16O5	CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O)O	WRTWKAQFZYXAEJ-LBPRGKRZSA-N	Simple prenylated coumarins	Antiaris toxicana	264.276	1.157	-2.428	5	3	3	86.99
5,7-Dimethoxy-6-(3-Methylbutyl)-Coumarin	90655370	CDB0805	C16H20O4	CC(C)CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC	CKUPAJFPLMPMSM-UHFFFAOYSA-N	Simple prenylated coumarins	Toddalia asiatica	276.331	3.244	-3.609	4	0	5	44.76
Hydramicromelin D	102584164	CDB0806	C15H14O7	CC1(C(C(OC1=O)C2=C(C=C3C(=C2)C=CC(=O)O3)OC)O)O	XSUHWPFITUMCFA-UHFFFAOYSA-N	Simple prenylated coumarins	Apiaceae and the Rutaceae plant families	306.269	-0.1424	-2.15	7	2	2	102.29
Micromelin	73230	CDB0807	C15H12O6	CC12C(O1)C(OC2=O)C3=C(C=C4C(=C3)C=CC(=O)O4)OC	VIORQNDMAWQQCV-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum integerrimum	288.254	0.412	-2.631	6	0	2	74.36
5,7-Dimethoxy-8-(3-Methylbutyl)-Coumarin	90655371	CDB0808	C16H20O4	CC(C)CCC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC	APANCZNGWGZFCL-UHFFFAOYSA-N	Simple prenylated coumarins	Toddalia asiatica	276.331	3.244	-3.609	4	0	5	44.76
8-(3-Ethoxy-2-Hydroxy-3-Methylbutyl)-5,7-Dimethoxycoumarin	118737347	CDB0809	C18H24O6	CCOC(C)(C)C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O	VLSPUKODWJUOMJ-HNNXBMFYSA-N	Simple prenylated coumarins	Toddalia asiatica	336.383	2.1969	-3.188	6	1	7	74.22
Integerrimelin	102584165	CDB0810	C19H22O8	CC1(C(COC1=O)OC(C)(C)C(CC2=C(C=CC3=C2OC(=O)C=C3)O)O)O	MVDZRRJNPJVSRY-UHFFFAOYSA-N	Simple prenylated coumarins	Apiaceae and the Rutaceae plant families	378.376	0.5143	-2.663	8	3	5	122.52
Kimcuongin	102141971	CDB0811	C20H20O6	CC(=CC(=O)OC(=C(C)C)C(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC)C	VALIYXXMXXVKDP-UHFFFAOYSA-N	Simple prenylated coumarins	Murraya paniculata	356.373	4.1425	-4.285	6	0	6	78.9
Meranzin Hydrate	5070783	CDB0812	C15H18O5	CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	KGGUASRIGLRPAX-LBPRGKRZSA-N	Simple prenylated coumarins	Cnidium monnieri	278.303	1.4327	-2.742	5	2	4	75.99
7-Methoxy-8-(4-Methyl-3-Furanyl-Coumarin	46831977	CDB0813	C15H12O4	CC1=COC=C1C2=C(C=CC3=C2OC(=O)C=C3)OC	INZNSTVWSRDWLF-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum minutum	256.256	2.5652	-4.476	4	0	2	48.67
Microcoumaririn	101897656	CDB0814	C15H12O6	CC1=C(C(=O)OC1O)C2=C(C=CC3=C2OC(=O)C=C3)OC	DMHGVTAPWZJYJY-CQSZACIVSA-N	Simple prenylated coumarins	Micromelum falcatum	288.254	0.8171	-2.412	6	1	2	82.06
Microfalcrin)	101897655	CDB0815	C15H16O6	COC1=C(C2=C(C=C1)C=CC(=O)O2)C(C(C(=C)CO)O)O	RRULFOJZMACTIZ-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	292.286	0.498	-2.04	6	3	5	96.22
Micromarin A	10522365	CDB0816	C20H22O6	CC(C)CC(=O)OCC(=C)C1C(O1)C2=C(C=CC3=C2OC(=O)C=C3)OC	MRAPDOUDLFGIQM-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	358.389	3.031	-3.631	6	0	8	74.36
Micromarin B	10595678	CDB0817	C20H24O7	CC(C)CC(=O)OCC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	RPWASDJXFDDBFQ-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	376.404	2.1097	-3.15	7	2	9	102.29
Micromarin C	11793924	CDB0818	C20H24O7	CC(C)CC(=O)OCC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O	RPWASDJXFDDBFQ-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	376.404	2.1097	-3.15	7	2	9	102.29
Micromarin F	10730037	CDB0819	C15H16O4	CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)CO	NYBDJZVNEBTWCZ-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	260.288	2.5232	-2.82	4	1	4	55.76
Microminutinin	15480775	CDB0820	C14H10O4	C=C1COC2C1C3=C(O2)C=CC4=C3OC(=O)C=C4	LBKZVXDBYGRCRP-UHFFFAOYSA-N	Simple prenylated coumarins	Cnidium monnieri	242.229	2.3564	-3.226	4	0	0	44.76
6-Methoxymicrominutinin	15480776	CDB0821	C15H12O5	COC1=C2C(=C3C(=C1)C=CC(=O)O3)C4C(O2)OCC4=C	IDDJLWFUDAQMQK-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum minutum	272.255	2.2864	-3.244	5	0	1	53.99
Wampetin	101897657	CDB0822	C15H14O5	COC1=C(C2=C(C=C1)C=CC(=O)O2)C3C(C(=C)CO3)O	NTKZVMCLJUKOBI-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	274.271	1.221	-2.521	5	1	2	64.99
Micromelosidester	51694173	CDB0823	C20H22O6	CC(C)CC(=O)OC1C(OCC1=C)C2=C(C=CC3=C2OC(=O)C=C3)OC	YUGLDRNZSJJFIK-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum falcatum	358.389	2.8327	-3.631	6	0	6	71.06
Murralogin	5319957	CDB0824	C15H14O4	CC(=C(C)C1=C(C=CC2=C1OC(=O)C=C2)OC)C=O	JSPFGMUFGCFXKI-UHFFFAOYSA-N	Simple prenylated coumarins	Micromelum integerrimum	258.272	2.2058	-2.857	4	0	3	52.6
Murranganon	5319956	CDB0825	C15H16O5	CC(C)C(=O)C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O	QPXQLCIYAJVXPH-CQSZACIVSA-N	Simple prenylated coumarins	Saposhnikovia divaricata	276.287	1.1909	-2.695	5	1	4	72.83
7-Methoxy-6,8-Bis-(2,3-Dihydroxy-3-Methylbutyl)-Coumarin	132277201	CDB0826	C20H28O7	CC(C)(C(CC1=C(C(=C2C(=C1)C=CC(=O)O2)CC(C(C)(C)O)O)OC)O)O	FEMJDPKPHJOXKQ-UHFFFAOYSA-N	Simple prenylated coumarins	Sophora interrupta	380.435	1.438	-3.096	7	4	7	116.45
Mammea C/Bb	53324072	CDB0827	C24H32O5	CCCCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)C(C)CC)O)CC=C(C)C)O	HHPBGHOULCFTMR-HNNXBMFYSA-N	Simple prenylated coumarins	Mammea usambarensis	400.513	5.7226	-4.91	5	2	9	83.83
Mammea C/Ab	70698200	CDB0828	C24H32O5	CCCCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)C(C)CC)O	BZYSFJMTCUKKOB-HNNXBMFYSA-N	Simple prenylated coumarins	Mammea usambarensis	400.513	5.7226	-4.91	5	2	9	83.83
Mammea C/Aa	51040689	CDB0829	C24H32O5	CCCCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)CC(C)C)O	XLQSXCISSFNQTD-UHFFFAOYSA-N	Simple prenylated coumarins	Mammea usambarensis	400.513	5.7226	-4.91	5	2	9	83.83
Mammea A/Bb	53322741	CDB0830	C25H26O5	CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O	ZZRRSYITGMMRPP-HNNXBMFYSA-N	Simple prenylated coumarins	Mammea usambarensis	406.476	5.3249	-5.306	5	2	6	83.83
Mammea A/Bc	15407042	CDB0831	C24H24O5	CCCC(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)CC=C(C)C)O	GZUILQDOVCYOST-UHFFFAOYSA-N	Simple prenylated coumarins	Mammea usambarensis	392.45	5.1066	-5.146	5	2	6	83.83
Mammea A/Ac	44546137	CDB0832	C24H24O5	CCCC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O	NWWAVRDKPXDXSM-UHFFFAOYSA-N	Simple prenylated coumarins	Mammea usambarensis	392.45	5.1066	-5.146	5	2	6	83.83
Mammea B/Ac Cyclo D	70684457	CDB0833	C21H24O5	CCCC1=CC(=O)OC2=C3C=CC(OC3=C(C(=C12)O)C(=O)CCC)(C)C	SMRSMFDNXPPPCA-UHFFFAOYSA-N	Simple prenylated coumarins	Mammea usambarensis	356.417	3.9454	-4.826	5	1	5	72.83
Mammea B/Bc Cyclo E	102504551	CDB0834	C21H26O6	CCCC1=CC(=O)OC2=C1C(=C3CC(C(OC3=C2C(=O)CCC)(C)C)O)O	JKOPHYFSGRCMOF-CQSZACIVSA-N	Simple prenylated coumarins	Mammea usambarensis	374.431	3.2571	-4.292	6	2	5	93.06
Mammea E/Bb	50908588	CDB0835	C24H30O7	CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)OC(=O)C)O)CC=C(C)C)O	CIJFRPODNXMJFU-UHFFFAOYSA-N	Simple prenylated coumarins	Mammea usambarensis	430.495	4.2766	-4.381	7	2	9	110.13
Mammea E/Ba	11517592	CDB0836	C24H30O7	CCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)OC(=O)C	YOWZJSSQEMLPTC-SFHVURJKSA-N	Simple prenylated coumarins	Mammea neurophylla	430.495	4.2766	-4.381	7	2	9	110.13
Mammea F/Ba	51040688	CDB0837	C24H32O6	CCCCC(C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)O	KDXSRMVJFBSRCC-KRWDZBQOSA-N	Simple prenylated coumarins	Mammea neurophylla	416.512	4.7008	-4.511	6	3	9	104.06
5'-Acetoxyauraptene	5319385	CDB0838	C21H24O5	CC(=CC(CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)OC(=O)C)C	HBHAENAAWHAOMI-LJQANCHMSA-N	Simple geranylated coumarins	Ferula gummosa	356.417	4.7313	-4.111	5	0	8	61.83
Alloisoimperatorin	5317436	CDB0839	C16H14O4	CC(=CCC1=C2C(=C(C3=C1OC=C3)O)C=CC(=O)O2)C	JLCROWZWGSUEMR-UHFFFAOYSA-N	Simple prenlyated linear furanocoumarins	Angelica dahurica	270.283	3.6258	-4.172	4	1	2	59.67
Byakangelicin	10211	CDB0840	C17H18O7	CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O	PKRPFNXROFUNDE-NSHDSACASA-N	Simple prenlyated linear furanocoumarins	Angelica dahurica	334.323	1.4611	-3.716	7	2	5	98.36
Heraclenol	73253	CDB0841	C16H16O6	CC(C)(C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O)O	FOINLJRVEBYARJ-NSHDSACASA-N	Simple prenlyated linear furanocoumarins	Angelica dahurica	304.297	1.5311	-3.698	6	2	4	89.13
Isobyakangelicin	21826768	CDB0842	C17H18O7	CC(C)(C(COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)O)O	MKDVKEKAKJODGJ-NSHDSACASA-N	Simple prenlyated linear furanocoumarins	Angelica nitida	334.323	1.4611	-3.716	7	2	5	98.36
Oxypeucedanin	160544	CDB0843	C16H14O5	CC1(C(O1)COC2=C3C=CC(=O)OC3=CC4=C2C=CO4)C	QTAGQHZOLRFCBU-ZDUSSCGKSA-N	Simple prenlyated linear furanocoumarins	Angelica dahurica	286.282	2.1175	-4.179	5	0	3	61.2
Pabularinone	14521099	CDB0844	C16H14O5	CC(C)C(=O)COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2	SVPDNNKLQWHTPC-UHFFFAOYSA-N	Simple prenlyated linear furanocoumarins	Angelica dahurica	286.282	2.3594	-4.199	5	0	4	65.74
Clauslactone A	10066950	CDB0845	C19H18O7	CC(CC1CC(=C)C(=O)O1)(C2COC3=C(O2)C4=C(C=C3)C=CC(=O)O4)O	QOASRYFWAJXZRX-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Clausena lansium	358.345	1.6389	-3.61	7	1	3	91.29
Clauslactone B	10407168	CDB0846	C19H20O8	CC1(CC(OC1=O)CC(C)(C2COC3=C(O2)C4=C(C=C3)C=CC(=O)O4)O)O	KBLZMFGBGGWQCK-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Clausena lansium	376.36	0.8417	-3.257	8	2	3	111.52
Clauslactone D	10023398	CDB0847	C19H20O9	CC(CC1CC(C(=O)O1)(CO)O)(C2COC3=C(O2)C4=C(C=C3)C=CC(=O)O4)O	GOTGCQAKGMYEPD-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Clausena lansium	392.359	-0.085	-2.75	9	3	4	131.75
Clauslactone E	10450031	CDB0848	C19H18O6	CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)O)CC3CC(=C)C(=O)O3	WWTBMZAWBGEHRW-AWEZNQCLSA-N	Geranylated linear furanocoumarins	Clausena lansium	342.346	2.7758	-3.528	6	1	5	82.06
Clauslactone F	44558962	CDB0849	C19H18O6	CC1(C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3)CC4CC(=C)C(=O)O4	BSQOZNKTJBOYCC-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Clausena lansium	342.346	1.6907	-3.72	6	0	5	74.36
Clauslactone J	44558958	CDB0850	C19H18O7	CC1(C(O1)COC2=CC3=C(C=C2)C=CC(=O)O3)CC4C=C(C(=O)O4)CO	SREZIYPRWBLGDH-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Clausena lansium	358.345	0.6857	-3.046	7	1	6	94.59
8-Geranyloxypsoralen	5317564	CDB0851	C21H22O4	CC(=CCCC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C)C	SOVNCTNQAWWYAQ-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Clausena lansium	338.402	5.7201	-5.259	4	0	6	48.67
Indicolactone	6439823	CDB0852	C21H18O6	CC1=CC(OC1=O)CC(=CCOC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C	XVVBVBKVMMNZHB-INIZCTEOSA-N	Geranylated linear furanocoumarins	Clausena lansium	366.368	3.4948	-4.816	6	0	5	74.97
Ochrocarpin A	44559918	CDB0853	C25H24O6	CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C(O2)C(C)(C)O	LPGFEBXRFJLODR-ZDUSSCGKSA-N	Geranylated linear furanocoumarins	Mammea neurophylla	420.46	4.4296	-6.215	6	2	5	96.97
Ochrocarpin B	10387413	CDB0854	C25H24O6	CC(C)CC(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C(O2)C(C)(C)O	LCBIHGVAJHDTOY-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Mammea neurophylla	420.46	4.4296	-6.215	6	2	5	96.97
Ochrocarpin C	11742055	CDB0855	C24H22O6	CC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C(O2)C(C)(C)O	VUTHGCZKFOZRRG-UHFFFAOYSA-N	Geranylated linear furanocoumarins	Mammea neurophylla	406.433	3.9752	-5.945	6	2	4	96.97
Ochrocarpin D	44559858	CDB0856	C26H26O6	CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C4=CC=CC=C4)C=C(O2)C(C)(C)OC	PSBCHGQXBPONOM-AWEZNQCLSA-N	Geranylated linear furanocoumarins	Mammea neurophylla	434.486	4.8575	-6.343	6	1	6	85.97
Ochrocarpin E	10250876	CDB0857	C24H24O6	CC(C)C(=O)C1=C2C(=C3C(=C1O)CC(O3)C(C)(C)O)C(=CC(=O)O2)C4=CC=CC=C4	FKONHDPZVQENQZ-MRXNPFEDSA-N	Geranylated linear furanocoumarins	Mammea neurophylla	408.449	3.5574	-5.118	6	2	4	93.06
Ochrocarpin F	10388861	CDB0858	C24H30O8	CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C(CC)OC(=O)C)CC(O2)C(C)(C)O	VBJCSMQHVABALD-UHFFFAOYSA-N	Angular dihydrofuranocoumarins	Mammea neurophylla	446.494	2.9635	-4.463	8	2	8	119.36
Ochrocarpin G	10343524	CDB0859	C24H30O8	CCC(C)C(=O)C1=C2C(=C3C(=C1O)C(=CC(=O)O3)C(CC)OC(=O)C)CC(O2)C(C)(C)O	VBJCSMQHVABALD-UHFFFAOYSA-N	Angular dihydrofuranocoumarins	Mammea neurophylla	446.494	2.9635	-4.463	8	2	8	119.36
Prantschimgin (Pranchimgin)	908164	CDB0860	C19H20O5	CC(=CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	PQCLZBCFLJVBGA-MRXNPFEDSA-N	Linear dihydrofuranocoumarins	Ferulago angulata	328.363	3.6087	-3.941	5	0	4	61.83
Nodakenetin Tiglate	906523	CDB0861	C19H20O5	CC=C(C)C(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3	HHNCJFKRMZDTHW-MRXNPFEDSA-N	Linear dihydrofuranocoumarins	Ficus tsiangii	328.363	3.6087	-3.941	5	0	4	61.83
8-Formylalloxanthoxyletin	122389737	CDB0862	C16H14O5	CC1(C=CC2=C(O1)C3=C(C(=C2OC)C=O)OC(=O)C=C3)C	OQAIJEKTVZZQJQ-UHFFFAOYSA-N	Angular pyranocoumarins	Zanthoxylum avicennae	286.282	2.3874	-3.971	5	0	2	61.83
Avicennol Methyl Ether	15118771	CDB0863	C21H24O5	CC1(C=CC2=C(O1)C3=C(C(=C2OC)C=CC(C)(C)OC)OC(=O)C=C3)C	DOXLEULKLKKQAR-UHFFFAOYSA-N	Angular pyranocoumarins	Zanthoxylum avicennae	356.417	3.7858	-4.663	5	0	4	53.99
Avicennone	122389736	CDB0864	C19H18O5	CC(=O)C=CC1=C(C2=C(C3=C1OC(=O)C=C3)OC(C=C2)(C)C)OC	WRWUMWDYIQTDPH-UHFFFAOYSA-N	Angular pyranocoumarins	Zanthoxylum avicennae	326.347	2.9461	-4.477	5	0	3	61.83
5-Methoxyseselin	290897	CDB0865	C15H14O4	CC1(C=CC2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)C	ZNMRQYJUVCXNGK-UHFFFAOYSA-N	Angular pyranocoumarins	Zanthoxylum avicennae	258.272	2.4541	-3.647	4	0	1	44.76
Xanthoxyletin	66548	CDB0866	C15H14O4	CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C	JSJIIHRNDMLJGK-UHFFFAOYSA-N	Linear pyranocoumarins	Zanthoxylum ailanthoides	258.272	2.4541	-3.647	4	0	1	44.76
Praeroside II	24066895	CDB0867	C20H24O10	CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)C	QAUDHOGPLBDVAX-UHFFFAOYSA-N	Linear pyranocoumarins	Peucedanum praeruptorum	424.401	-0.7273	-2.247	10	5	3	155.14
Praeroside VI	102353962	CDB0868	C20H26O10	CC(C)(C(CC1=C(C=CC2=C1OC(=O)C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O	ZRWARFMXIZFTJY-UHFFFAOYSA-N	Linear pyranocoumarins	Peucedanum praeruptorum	426.416	-0.6801	-2.128	10	6	6	166.14
Praeruptorin A	38347607	CDB0869	C21H22O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)C	XGPBRZDOJDLKOT-UHFFFAOYSA-N	Angular dihydropyranocoumarins	Peucedanum praeruptorum	386.399	3.342	-3.803	7	0	5	88.13
Praeruptorin B	5319259	CDB0870	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C	PNTWXEIQXBRCPS-UHFFFAOYSA-N	Angular dihydropyranocoumarins	Peucedanum praeruptorum	426.463	4.605	-4.239	7	0	6	88.13
Praeruptorin C	5320692	CDB0871	C24H28O7	CC=C(C)C(=O)OC1C(C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C	UFUVJROSOIXJGR-UHFFFAOYSA-N	Angular dihydropyranocoumarins	Peucedanum praeruptorum	428.479	4.4691	-4.503	7	0	7	88.13
Praeruptorin D	25717254	CDB0872	C24H26O7	CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C(=CC)C	PNTWXEIQXBRCPS-UHFFFAOYSA-N	Angular dihydropyranocoumarins	Peucedanum praeruptorum	426.463	4.605	-4.239	7	0	6	88.13
Corymbocoumarin		CDB0873	C21H24O7	CC(C)CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C	KLUTZDJBVDPOFE-UHFFFAOYSA-N	Angular dihydropyranocoumarins	Saposhnikovia divaricata	388.415	3.2061	-4.067	7	0	6	88.13
3',4'-Diisovalerylkhellactone	44584701	CDB0874	C24H30O7	CC(C)CC(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)CC(C)C	LJYPJWICCCIAKW-UHFFFAOYSA-N	Angular dihydropyranocoumarins	Saposhnikovia divaricata	430.495	4.3332	-4.767	7	0	8	88.13
Decursinol Angelate	776123	CDB0875	C19H20O5	CC=C(C)C(=O)OC1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C	AGABNGOXUSXQDD-MRXNPFEDSA-N	Linear dihydropyranocoumarins	Peucedanum praeruptorum	328.363	3.5834	-3.941	5	0	3	61.83
Dihydroxanthyletin	10466390	CDB0876	C14H14O3	CC1(CCC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C	OHVLVQZSSLHFMS-UHFFFAOYSA-N	Linear dihydropyranocoumarins	Ficus tsiangii	230.262	2.6879	-3.494	3	0	0	35.53
Licopyranocoumarin	122851	CDB0877	C21H20O7	CC1(CCC2=C(O1)C=C3C(=C2OC)C=C(C(=O)O3)C4=C(C=C(C=C4)O)O)CO	MOBCUWLJOZHPQL-OAQYLSRUSA-N	Linear dihydropyranocoumarins	Glycyrrhiza uralensis	384.383	2.255	-3.37	7	3	3	105.45
Ethyl Galbanate	102230842	CDB0878	C26H34O5	CCOC(=O)CCC1C(=C(C)C)CCC(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)C	RWKFHYUFQGFKKA-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	426.551	5.7518	-5.244	5	0	8	61.83
Methyl Galbanate	7075765	CDB0879	C25H32O5	CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)OC	LWKZASDDSMSRFV-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	412.524	5.3455	-4.944	5	0	7	61.83
Farnesiferol	44457256	CDB0880	C24H30O4	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C4CCC3(O4)C)(C)C	OCHZHKVSLMBEJP-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	382.498	5.0986	-5.119	4	0	6	44.76
Farnesiferol A	7067262	CDB0881	C24H30O4	CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	FCWYNTDTQPCVPG-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	382.498	4.4305	-5.138	4	1	3	55.76
Farnesiferol B	1779468	CDB0882	C24H30O4	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(=C)CCC(C3(C)C)O	XXKXCRGLMFAXTK-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	382.498	5.3414	-4.991	4	1	6	55.76
(-)-Farnesiferol C	131750876	CDB0883	C24H30O4	CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC3C(C4CCC3(O4)C)(C)C	OCHZHKVSLMBEJP-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	382.498	5.0986	-5.119	4	0	6	44.76
Fnarthexol	102138447	CDB0884	C24H30O4	CC1=CCC2C(C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)CCC(C2(C)C)O	SFOGGSRHTFZOTM-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula narthex	382.498	4.3522	-4.971	4	1	3	55.76
Fnarthexone	102138446	CDB0885	C24H26O4	CC1(C2C=CC(=C)C(C2(CCC1=O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C	XGQPCBYDVVIEFY-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula narthex	378.466	4.2988	-4.961	4	0	3	52.6
Kamolonol Acetate	59052605	CDB0886	C26H32O6	CC1CC(C2(C(C(=O)CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C)C)OC(=O)C	PIGAODQEDMJGTF-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	440.534	4.2329	-5.297	6	0	5	78.9
Lehmannolol	16093743	CDB0887	C24H32O4	CC1CCC2(C(C(CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)O)C)C	VZHMLYJMPGDZPE-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula sinkiangensis	384.514	4.4567	-5.235	4	1	3	55.76
Lehmannolone	101418600	CDB0888	C24H30O4	CC1CCC2(C(C(=O)CCC2C1(C)COC3=CC4=C(C=C3)C=CC(=O)O4)C)C	RMXJARGUSLRHBH-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula sinkiangensis	382.498	4.6004	-5.286	4	0	3	52.6
Mogoltacin	3693531	CDB0889	C24H30O4	CC1=CCC2C(C(CCC2(C1COC3=CC4=C(C=C3)C=CC(=O)O4)C)O)(C)C	MCTDXPDDZLFJHR-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula gummosa	382.498	4.3522	-4.971	4	1	3	55.76
Sanandajin	101584242	CDB0890	C39H52O5	CC1CCC(=C(C)C)C(C1(C)COC2=CC3=C(C=C2)C=CC(=O)O3)CCC(=O)OCC(C)C4CC=C(C5C4CC(=C)CC5)C	QTJLADRPIPVHJI-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula pseudalliacea	600.837	9.1059	-7.905	5	0	10	61.83
Sinkianone)	101418599	CDB0891	C24H30O4	CC1CCC(=O)C(C1(C)CCC(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C)C	XHCZZRPXSCDUOQ-UHFFFAOYSA-N	Sesquiterpenyl coumarins	Ferula sinkiangensis	382.498	5.5113	-5.139	4	0	6	52.6
Edgeworoside A	45360264	CDB0892	C33H24O13	CC1C(C(C(C(O1)OC2=C(C3=C(C=C2)C=CC(=O)O3)C4=C(C=CC5=C4OC(=O)C(=C5)OC6=CC7=C(C=C6)C=CC(=O)O7)O)O)O)O	IKMYHRZEPWIULH-UHFFFAOYSA-N	Oligomeric coumarins	Edgeworthia chrysantha	628.541	2.5238	-7.153	13	4	5	187.51
Dahuribirin D	101117858	CDB0893	C32H28O10	CC1(C(O1)COC2=C3C=COC3=CC4=C2C=CC5(O4)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C	ZQFRUXRHVIYIEM-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	572.564	5.3103	-7.828	10	0	6	111.26
Dahuribirin E	101117859	CDB0894	C32H30O11	CC1(C(OC2(O1)C=CC3=C(O2)C=C4C(=C3OCC(C(C)(C)O)O)C=CO4)COC5=C6C=CC(=O)OC6=CC7=C5C=CO7)C	JYGBUNBAQUBPQH-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	590.579	4.7239	-7.347	11	2	7	139.19
Dahuribirin C	10974049	CDB0895	C33H30O11	CC1(C(O1)COC2=C3C(=C(C4=C2OC=C4)OC)C=CC5(O3)OC(C(O5)(C)C)COC6=C7C=CC(=O)OC7=CC8=C6C=CO8)C	RRTKMJLCDXUEAE-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	602.59	5.2403	-7.846	11	0	7	120.49
Dahuribirin G	10985146	CDB0896	C34H34O13	CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)OC(COC4=C5C(=C(C6=C4OC(=O)C=C6)OC)C=CO5)C(C)(C)O	XHOJVUSXFWDYQT-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	650.631	3.7059	-7.383	13	2	12	165.49
Dahuribirin A	11017376	CDB0897	C33H30O10	CC(=CCOC1=C2C(=CC3=C1OC4(C=C3)OC(C(O4)(C)C)COC5=C6C(=C(C7=C5OC(=O)C=C7)OC)C=CO6)C=CO2)C	HCKXEUGWKJVWHW-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	586.591	6.6711	-7.95	10	0	7	107.96
Dahuribirin F	11050454	CDB0898	C34H32O12	CC(=C)C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)OC(C)(C)C(COC4=C5C(=C(C6=C4OC(=O)C=C6)OC)C=CO5)O	JXAVUIQDQXFQNF-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	632.616	4.768	-7.736	12	1	12	145.26
Dahuribirin B	10886819	CDB0899	C34H34O13	CC1(C(OC2(O1)C=CC3=C(C4=C(C(=C3O2)OCC(C(C)(C)O)O)OC=C4)OC)COC5=C6C(=C(C7=C5OC(=O)C=C7)OC)C=CO6)C	WTXFYLVSVHJEKX-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	650.631	4.5839	-7.383	13	2	9	157.65
8'-Epi-Cleomiscosin A	11200016	CDB0900	C20H18O8	COC1=C(C=CC(=C1)C2C(OC3=C4C(=CC(=C3O2)OC)C=CC(=O)O4)CO)O	OCBGWPJNUZMLCA-UHFFFAOYSA-N	Oligomeric coumarins	Angelica dahurica	386.355	1.9047	-3.257	8	2	4	103.68
Ethyl (E)-3-((3S,4S)-3-Butyryl-6,7-Dihydroxy-2-Oxochroman-4-Yl)-2-Hydroxy-4-Oxohept-2-Enoate	132280277	CDB0901	C22H26O9	CCCC(=O)C1C(C2=CC(=C(C=C2OC1=O)O)O)C(=C(C(=O)OCC)O)C(=O)CCC	HMJDWEDAYDGEBV-UHFFFAOYSA-N	Miscellaneous coumarins	Euphorbia wallichii	434.439	3.1927	-3.365	9	3	10	147.43
Exotine A	122208055	CDB0902	C28H27NO3	CC1=CC(C2=C(C(C1)C=C(C)C)C3=CC=CC=C3N2)C4=C(C=CC5=C4OC(=O)C=C5)OC	REZQAJQPFFQDSY-UHFFFAOYSA-N	Miscellaneous coumarins	Murraya exotica	425.526	6.0702	-6.148	4	1	3	51.32
Exotine B	122208056	CDB0903	C29H29NO4	CC1=CC(C2=C(C(C1)C=C(C)C)C3=CC=CC=C3N2)C4=C(C=C(C5=C4OC(=O)C=C5)OC)OC	AMVDJIOHTCIXCX-UHFFFAOYSA-N	Miscellaneous coumarins	Murraya exotica	455.552	6.0002	-6.166	5	1	4	60.55
Herpetolide A	24813534	CDB0904	C16H14O6	COC1=CC(=C2C3=CC(=C(C=C3C(=O)OC2=C1)O)OC)CO	QFMFJEWJLZEZLH-UHFFFAOYSA-N	Miscellaneous coumarins	Herpetospermum caudigerum	302.281	1.9065	-3.71	6	2	3	85.22
Herpetolide B	24813535	CDB0905	C16H12O6	COC1=CC(=C2C3=CC(=C(C=C3C(=O)OC2=C1)O)OC)C=O	HAQBTDDAPNUETN-UHFFFAOYSA-N	Miscellaneous coumarins	Herpetospermum caudigerum	300.265	2.4371	-4.15	6	1	3	82.06

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Soine, T. O. (1964). Naturally occurring coumarins and related physiological activities. Journal of pharmaceutical sciences, 53(3), 231-264.

Murray, R. D. (2002). The naturally occurring coumarins. Fortschritte der Chemie organischer Naturstoffe/Progress in the Chemistry of Organic Natural Products, 1-619.

Sarker, S. D., & Nahar, L. (2017). Progress in the chemistry of naturally occurring coumarins. Progress in the Chemistry of Organic Natural Products 106, 241-304.