Summary

Molecular formula: C24H31NO7
SMILES: CCC([C@H](N1Cc2c(C1=O)cc(c(c2O)C/C=C(/CC/C=C(/C(=O)O)C)C)O)C(=O)O)C
InChI: InChI=1S/C24H31NO7/c1-5-14(3)20(24(31)32)25-12-18-17(22(25)28)11-19(26)16(21(18)27)10-9-13(2)7-6-8-15(4)23(29)30/h8-9,11,14,20,26-27H,5-7,10,12H2,1-4H3,(H,29,30)(H,31,32)/b13-9+,15-8+/t14?,20-/m0/s1
InChIKey: WJNCJJUXKGZWSO-VVUSLALXSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NCc2ccccc21

Scaffold Graph/Node level:
OC1NCC2CCCCC21

Scaffold Graph level:
CC1CCC2CCCCC12

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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:
erinacerin f

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External chemical identifiers:
CID_101910492; NPATLAS_NPA014015; CHEMSPIDER_78437943

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Chemical structure download