Summary
SMILES: COc1c2C=CC(Oc2cc2c1c(O)c(c(=O)o2)c1ccc2c(c1)OCO2)(C)CInChI: InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16-18(20(12)25-3)19(23)17(21(24)28-16)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3InChIKey: LCSCNPZJBMHOJH-UHFFFAOYSA-N
DeepSMILES: COccC=CCOc6ccc%10cO)cc=O)o6))cccccc6)OCO5)))))))))))))))C)C
Scaffold Graph/Node/Bond level: O=c1oc2cc3c(cc2cc1-c1ccc2c(c1)OCO2)C=CCO3
Scaffold Graph/Node level: OC1OC2CC3OCCCC3CC2CC1C1CCC2OCOC2C1
Scaffold Graph level: CC1CC2CC3CCCCC3CC2CC1C1CCC2CCCC2C1
Functional groups: c1cOCO1; c=O; cC=CC; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: Hydroxyisoflavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Coumarins
NP Classifier Class: Pyranocoumarins
Synonymous chemical names:robustin
External chemical identifiers:CID:54708253; ZINC:ZINC000014687503
Chemical structure download