Summary

Molecular formula: C19H28N2O6
SMILES: CCC([C@@H](C(=N[C@@H](n1cc(C(=O)C)c(=O)cc1CO)C(C)C)C(=O)O)O)C
InChI: InChI=1S/C19H28N2O6/c1-6-11(4)17(25)16(19(26)27)20-18(10(2)3)21-8-14(12(5)23)15(24)7-13(21)9-22/h7-8,10-11,17-18,22,25H,6,9H2,1-5H3,(H,26,27)/t11?,17-,18-/m0/s1
InChIKey: XELPLZCCFQVOFX-AZOLZQDUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]cc1

Scaffold Graph/Node level:
OC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Hydroxy acids and derivatives
Sub class: Medium-chain hydroxy acids and derivatives

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Synonymous chemical names:
erinacerin o

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External chemical identifiers:
CID_132599513; NPATLAS_NPA019007; CHEMSPIDER_78438554

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Chemical structure download