Summary

Molecular formula: C25H18O9
SMILES: Cc1cc(=O)cc(o1)c1cc(O)c(cc1c1c(O)cc(oc1=O)/C=C/c1ccc(c(c1)O)O)O
InChI: InChI=1S/C25H18O9/c1-12-6-14(26)8-23(33-12)16-10-20(29)21(30)11-17(16)24-22(31)9-15(34-25(24)32)4-2-13-3-5-18(27)19(28)7-13/h2-11,27-31H,1H3/b4-2+
InChIKey: WJHRLIAIIVRKTD-DUXPYHPUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccoc(-c2ccccc2-c2ccc(C=Cc3ccccc3)oc2=O)c1

Scaffold Graph/Node level:
OC1CCOC(C2CCCCC2C2CCC(CCC3CCCCC3)OC2O)C1

Scaffold Graph level:
CC1CCCC(C2CCCCC2C2CCC(CCC3CCCCC3)CC2C)C1

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Chemical classification

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

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Synonymous chemical names:
inonoblin c

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External chemical identifiers:
CID_54689767; NPATLAS_NPA009030; CHEMSPIDER_23298718; ZINC_ZINC000028861965

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Chemical structure download