DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:17 UTC
Update Date	2025-03-21 18:06:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062815
Frequency	49.3
Structure
Chemical Formula	C₁₃H₁₅NO₆
Molecular Mass	281.0899
SMILES	NC(CCC(=O)O)COC(=O)c1ccccc1C(=O)O
InChI Key	YMNPYXZFGHZGIT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds benzoic acid esters benzoic acids benzoyl derivatives carbonyl compounds carboxylic acid esters hydrocarbon derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives benzoyl benzoic acid or derivatives tricarboxylic acid or derivatives benzoate ester aromatic homomonocyclic compound organic oxide organic oxygen compound carboxylic acid ester organonitrogen compound organopnictogen compound hydrocarbon derivative benzenoid primary aliphatic amine 1-carboxy-2-haloaromatic compound organic nitrogen compound benzoic acid organooxygen compound

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