Summary

Molecular formula: C25H22O8
SMILES: COc1cc(/C=C/c2oc(=O)c3c(c2)OC(/C/3=Cc2ccc(c(c2)O)O)(C)OC)ccc1O
InChI: InChI=1S/C25H22O8/c1-25(31-3)17(10-15-6-8-18(26)20(28)11-15)23-22(33-25)13-16(32-24(23)29)7-4-14-5-9-19(27)21(12-14)30-2/h4-13,26-28H,1-3H3/b7-4+,17-10-
InChIKey: XCJITIROISCLRT-GAGKHWTPSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc(C=Cc2ccccc2)cc2c1C(=Cc1ccccc1)CO2

Scaffold Graph/Node level:
OC1OC(CCC2CCCCC2)CC2OCC(CC3CCCCC3)C12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC2CCC(CC3CCCCC3)C12

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenols
Sub class: Methoxyphenols

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Synonymous chemical names:
methylinoscavin b

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External chemical identifiers:
CID_11676764; NPATLAS_NPA004466; CHEMSPIDER_9851493

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Chemical structure download