Summary

Molecular formula: C26H22O9
SMILES: COC1(CC(=O)C)Oc2c(/C/1=C/c1ccc(c(c1)O)O)c(=O)oc(c2)/C=C/c1ccc(c(c1)O)O
InChI: InChI=1S/C26H22O9/c1-14(27)13-26(33-2)18(9-16-5-8-20(29)22(31)11-16)24-23(35-26)12-17(34-25(24)32)6-3-15-4-7-19(28)21(30)10-15/h3-12,28-31H,13H2,1-2H3/b6-3+,18-9-
InChIKey: WBJFOHSVLCPQAU-MPVNRERKSA-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: Benzenediols

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Synonymous chemical names:
phelligridin f

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External chemical identifiers:
CID_11454399; NPATLAS_NPA010997; CHEMSPIDER_9629249

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Chemical structure download