Summary

Molecular formula: C25H18O9
SMILES: CC1=CC(=O)C2(O1)C(Oc1c2c(=O)oc(c1)/C=C/c1ccc(c(c1)O)O)c1ccc(c(c1)O)O
InChI: InChI=1S/C25H18O9/c1-12-8-21(30)25(34-12)22-20(33-23(25)14-4-7-17(27)19(29)10-14)11-15(32-24(22)31)5-2-13-3-6-16(26)18(28)9-13/h2-11,23,26-29H,1H3/b5-2+
InChIKey: ZGKUEJPXTILOCD-GORDUTHDSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=COC12c1c(cc(C=Cc3ccccc3)oc1=O)OC2c1ccccc1

Scaffold Graph/Node level:
OC1OC(CCC2CCCCC2)CC2OC(C3CCCCC3)C3(OCCC3O)C12

Scaffold Graph level:
CC1CC(CCC2CCCCC2)CC2CC(C3CCCCC3)C3(CCCC3C)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:
inoscavin a

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External chemical identifiers:
CID_10434469; NPATLAS_NPA003262; CHEMSPIDER_8609895

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Chemical structure download