Summary

Molecular formula: C13H15NO4
SMILES: CC([C@H]1C(=O)OCc2n1cc(C(=O)C)c(=O)c2)C
InChI: InChI=1S/C13H15NO4/c1-7(2)12-13(17)18-6-9-4-11(16)10(8(3)15)5-14(9)12/h4-5,7,12H,6H2,1-3H3/t12-/m0/s1
InChIKey: KHSSYAAJRGQWDH-LBPRGKRZSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Cn2ccc(=O)cc2CO1

Scaffold Graph/Node level:
OC1CCN2CC(O)OCC2C1

Scaffold Graph level:
CC1CCC2CC(C)CCC2C1

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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 m

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External chemical identifiers:
CID_132599511; NPATLAS_NPA007191; CHEMSPIDER_78437098

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Chemical structure download