Summary

Molecular formula: C22H16O7
SMILES: Oc1cc(/C=C/C2=CC(=O)C3(O2)C(=Cc2c3cc(O)c(c2)O)C(=O)C)ccc1O
InChI: InChI=1S/C22H16O7/c1-11(23)15-7-13-8-19(26)20(27)10-16(13)22(15)21(28)9-14(29-22)4-2-12-3-5-17(24)18(25)6-12/h2-10,24-27H,1H3/b4-2+
InChIKey: HCUSHIWVGLUDLU-DUXPYHPUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C=Cc2ccccc2)OC12C=Cc1ccccc12

Scaffold Graph/Node level:
OC1CC(CCC2CCCCC2)OC12CCC1CCCCC12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC12CCC1CCCCC12

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Indenes and isoindenes

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Synonymous chemical names:
phelliribsin a

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External chemical identifiers:
CID_72947038; NPATLAS_NPA016381; CHEMSPIDER_34485500

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Chemical structure download