Summary

Molecular formula: C24H20O9
SMILES: CCOC(=O)/C(=Cc1ccc(c(c1)O)O)/c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O
InChI: InChI=1S/C24H20O9/c1-2-32-23(30)16(9-14-5-8-18(26)20(28)11-14)22-21(29)12-15(33-24(22)31)6-3-13-4-7-17(25)19(27)10-13/h3-12,25-29H,2H2,1H3/b6-3+,16-9-
InChIKey: ILJIUGHJNCYQIT-PGODXZJGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc(C=Cc2ccccc2)ccc1C=Cc1ccccc1

Scaffold Graph/Node level:
OC1OC(CCC2CCCCC2)CCC1CCC1CCCCC1

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CCC1CCC1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Phenylpropanoids and polyketides
Class: Cinnamic acids and derivatives
Sub class: Hydroxycinnamic acids and derivatives

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Synonymous chemical names:
phellibaumin e

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External chemical identifiers:
CID_54738502; NPATLAS_NPA012034; CHEMSPIDER_26336888; ZINC_ZINC000071331972

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Chemical structure download