Summary

Molecular formula: C21H16O8
SMILES: COC1Oc2cc(/C=C/c3ccc(c(c3)O)O)oc(=O)c2c2c1cc(O)c(c2)O
InChI: InChI=1S/C21H16O8/c1-27-21-13-9-17(25)16(24)8-12(13)19-18(29-21)7-11(28-20(19)26)4-2-10-3-5-14(22)15(23)6-10/h2-9,21-25H,1H3/b4-2+
InChIKey: ZWAYHEUXGNTJFZ-DUXPYHPUSA-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:
inoscavin d

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External chemical identifiers:
CID_44419311; NPATLAS_NPA017207; CHEMSPIDER_23279005

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Chemical structure download