Summary
SMILES: CC(=C)C1Oc2c(C1)c(O)ccc2c1coc2c(c1=O)c(O)cc(c2)OInChI: InChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3InChIKey: YAWLWHBWDHQRRT-UHFFFAOYSA-N
DeepSMILES: CC=C)COccC5)cO)ccc6ccoccc6=O))cO)ccc6)O
Scaffold Graph/Node/Bond level: O=c1c(-c2cccc3c2OCC3)coc2ccccc12
Scaffold Graph/Node level: OC1C2CCCCC2OCC1C1CCCC2CCOC21
Scaffold Graph level: CC1C2CCCCC2CCC1C1CCCC2CCCC21
Functional groups: C=C(C)C; c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Isoflav-2-enes
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Isoflavones
Synonymous chemical names:crotarin
External chemical identifiers:CID:5491742
Chemical structure download