Summary
SMILES: COc1c(O)c(O)c(c2c1c(=O)c(O)c(o2)c1ccccc1)OInChI: InChI=1S/C16H12O7/c1-22-15-8-9(17)11(19)14(7-5-3-2-4-6-7)23-16(8)13(21)10(18)12(15)20/h2-6,18-21H,1H3InChIKey: RAPWTMDENVVCRB-UHFFFAOYSA-N
DeepSMILES: COccO)cO)ccc6c=O)cO)co6)cccccc6)))))))))))O
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2ccccc12
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CCCCC12
Functional groups: c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavonols
Synonymous chemical names:trihydroxy-methoxy-flavonol
External chemical identifiers:CID:129829598
Chemical structure download