DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:47:48 UTC
Update Date	2025-03-21 18:01:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00033270
Frequency	109.2
Structure
Chemical Formula	C₁₂H₁₃NO₆
Molecular Mass	267.0743
SMILES	O=C(O)C(Cc1ccccc1)NC(C(=O)O)C(=O)O
InChI Key	CUKDPYPGSPCIAZ-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	1,3-dicarbonyl compounds alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carboxylic acids dialkylamines hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid tricarboxylic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine secondary amine aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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