Summary

Molecular formula: C27H31NO8
SMILES: CC(CC(N1Cc2c(C1=O)cc(c(c2O)CC=C(C)C)OC(=O)c1c(C)cc(cc1O)O)C(=O)O)C
InChI: InChI=1S/C27H31NO8/c1-13(2)6-7-17-22(36-27(35)23-15(5)9-16(29)10-21(23)30)11-18-19(24(17)31)12-28(25(18)32)20(26(33)34)8-14(3)4/h6,9-11,14,20,29-31H,7-8,12H2,1-5H3,(H,33,34)
InChIKey: XZTGMLQCPNUZQT-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: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues

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Synonymous chemical names:
sterenin m

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External chemical identifiers:
CID_77461069; NPATLAS_NPA000147; CHEMSPIDER_78435324

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Chemical structure download