Summary

Molecular formula: C26H20O9
SMILES: COc1cc(/C=C/c2oc(=O)c3c(c2)OC(C23OC(=CC2=O)C)c2ccc(c(c2)O)O)ccc1O
InChI: InChI=1S/C26H20O9/c1-13-9-22(30)26(35-13)23-21(34-24(26)15-5-8-17(27)19(29)11-15)12-16(33-25(23)31)6-3-14-4-7-18(28)20(10-14)32-2/h3-12,24,27-29H,1-2H3/b6-3+
InChIKey: LNCIAIFVVJWMRV-ZZXKWVIFSA-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: Methoxyphenols

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Synonymous chemical names:
methylinoscavin a

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External chemical identifiers:
CID_11540179; NPATLAS_NPA007240; CHEMSPIDER_9714958

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Chemical structure download