Summary

Molecular formula: C22H16O9
SMILES: OC(=O)/C(=Cc1ccc(c(c1)O)O)/c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O
InChI: InChI=1S/C22H16O9/c23-15-5-2-11(8-17(15)25)1-4-13-10-19(27)20(22(30)31-13)14(21(28)29)7-12-3-6-16(24)18(26)9-12/h1-10,23-27H,(H,28,29)/b4-1+,14-7-
InChIKey: HODNKSQSWYYPLV-IHRVKPHJSA-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 d

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External chemical identifiers:
CID_54728960; NPATLAS_NPA009894; CHEMSPIDER_26336826; ZINC_ZINC000071331834

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Chemical structure download