Summary

Molecular formula: C28H31NO7
SMILES: COC(=O)[C@@H](N1Cc2c(C1=O)cc(c(c2O)C/C=C(/CC/C=C(/C(=O)O)C)C)O)Cc1ccccc1
InChI: InChI=1S/C28H31NO7/c1-17(8-7-9-18(2)27(33)34)12-13-20-24(30)15-21-22(25(20)31)16-29(26(21)32)23(28(35)36-3)14-19-10-5-4-6-11-19/h4-6,9-12,15,23,30-31H,7-8,13-14,16H2,1-3H3,(H,33,34)/b17-12+,18-9+/t23-/m0/s1
InChIKey: WWELGDZQLGAIBV-WBPVCKLFSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CN1CCc1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2CN1CCC1CCCCC1

Scaffold Graph level:
CC1C(CCC2CCCCC2)CC2CCCCC21

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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:
caputmedusin c

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Chemical structure download