Summary

Molecular formula: C25H27NO8
SMILES: CC(=CCc1c(cc2c(c1O)CN(C2=O)CCCC(=O)O)OC(=O)c1c(C)cc(cc1O)O)C
InChI: InChI=1S/C25H27NO8/c1-13(2)6-7-16-20(34-25(33)22-14(3)9-15(27)10-19(22)28)11-17-18(23(16)31)12-26(24(17)32)8-4-5-21(29)30/h6,9-11,27-28,31H,4-5,7-8,12H2,1-3H3,(H,29,30)
InChIKey: SBMMCNVNQWPEAI-UHFFFAOYSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(Oc1ccc2c(c1)C(=O)NC2)c1ccccc1

Scaffold Graph/Node level:
OC1NCC2CCC(OC(O)C3CCCCC3)CC21

Scaffold Graph level:
CC(CC1CCC2CCC(C)C2C1)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 k

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External chemical identifiers:
CID_77461067; NPATLAS_NPA004908; CHEMSPIDER_78435338

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Chemical structure download