Summary

Molecular formula: C22H16O9
SMILES: OC(=O)CC1Oc2cc(/C=C/c3ccc(c(c3)O)O)oc(=O)c2c2c1cc(O)c(c2)O
InChI: InChI=1S/C22H16O9/c23-14-4-2-10(5-15(14)24)1-3-11-6-19-21(22(29)30-11)13-8-17(26)16(25)7-12(13)18(31-19)9-20(27)28/h1-8,18,23-26H,9H2,(H,27,28)/b3-1+
InChIKey: ZWCIXZKNLVQESJ-HNQUOIGGSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc(C=Cc2ccccc2)cc2c1-c1ccccc1CO2

Scaffold Graph/Node level:
OC1OC(CCC2CCCCC2)CC2OCC3CCCCC3C12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC2CCC3CCCCC3C12

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Benzopyrans
Sub class: 2-benzopyrans

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Synonymous chemical names:
phellibaumin b

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External chemical identifiers:
CID_53248680; NPATLAS_NPA007186; CHEMSPIDER_26339639

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Chemical structure download