Record Information |
---|
HMDB Status | Not Available |
---|
Creation Date | 2024-02-20 23:44:21 UTC |
---|
Update Date | 2025-03-21 18:00:06 UTC |
---|
HMDB ID | Not Available |
---|
Metabolite Identification |
---|
DeepMet ID | DMID00025120 |
---|
Frequency | 154.0 |
---|
Structure | |
---|
Chemical Formula | C10H11NO4 |
---|
Molecular Mass | 209.0688 |
---|
SMILES | NC(Cc1ccc(O)cc1)C(=O)C(=O)O |
---|
InChI Key | KUZKCPSZFPCAEO-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Kingdom | organic compounds |
---|
Superclass | benzenoids |
---|
Class | benzene and substituted derivatives |
---|
Subclass | phenethylamines |
---|
Direct Parent | amphetamines and derivatives |
---|
Geometric Descriptor | aromatic homomonocyclic compounds |
---|
Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
---|
Substituents | carbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidorganonitrogen compoundalpha-keto acidorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
---|