Summary

Molecular formula: C21H22O8
SMILES: Oc1cc(C)c(c(c1)O)C(=O)Oc1cc(C)c(c2c1CC(O2)C(O)(C)C)C(=O)O
InChI: InChI=1S/C21H22O8/c1-9-5-11(22)7-13(23)16(9)20(26)28-14-6-10(2)17(19(24)25)18-12(14)8-15(29-18)21(3,4)27/h5-7,15,22-23,27H,8H2,1-4H3,(H,24,25)
InChIKey: VOISZAZWZMMJKL-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Oc1cccc2c1CCO2)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CCCC2OCCC21)C1CCCCC1

Scaffold Graph level:
CC(CC1CCCC2CCCC21)C1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Benzene and substituted derivatives
Sub class: Benzoic acids and derivatives

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Synonymous chemical names:
sterenin j

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External chemical identifiers:
CID_139586095; NPATLAS_NPA010812; CHEMSPIDER_78435358

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Chemical structure download