Summary

Molecular formula: C20H18O7
SMILES: OC1O[C@H]([C@H]2[C@@H]1[C@@H](OC2)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
InChI: InChI=1S/C20H18O7/c21-20-17-12(18(27-20)10-1-3-13-15(5-10)25-8-23-13)7-22-19(17)11-2-4-14-16(6-11)26-9-24-14/h1-6,12,17-21H,7-9H2/t12-,17-,18+,19+,20?/m1/s1
InChIKey: AWLJZFUREZNLGG-RXABKWRFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2

Scaffold Graph/Node level:
C1OC2CCC(C3OCC4C3COC4C3CCC4OCOC4C3)CC2O1

Scaffold Graph level:
C1CC2CCC(C3CCC4C(C5CCC6CCCC6C5)CCC34)CC2C1

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Chemical classification

Kingdom: Organic compounds
Super class: Lignans, neolignans and related compounds
Class: Furanoid lignans

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Synonymous chemical names:
4-hydroxysesamin

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External chemical identifiers:
CID_53321864; NPATLAS_NPA018414; CHEMSPIDER_26377603

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Chemical structure download