DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:59 UTC
Update Date	2025-03-25 00:54:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02203479
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₇NO₈
Molecular Mass	339.0954
SMILES	O=C(O)CC(C(=O)NC(Cc1ccccc1)C(=O)O)C(O)C(=O)O
InChI Key	CMTRFLKPEWJKPB-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids alpha hydroxy acids and derivatives amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monosaccharides n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary alcohols secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid alpha-hydroxy acid fatty amide monosaccharide tricarboxylic acid or derivatives saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02203479