DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:48 UTC
Update Date	2025-03-21 18:41:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133637
Frequency	18.9
Structure
Chemical Formula	C₁₂H₁₃NO₅
Molecular Mass	251.0794
SMILES	O=CC(NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	UPTDULGZLMUSSM-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 aldehydes alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine aldehyde secondary amine aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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