DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:10 UTC
Update Date	2025-03-21 18:41:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136712
Frequency	18.3
Structure
Chemical Formula	C₉H₁₂N₂O₃
Molecular Mass	196.0848
SMILES	Nc1cccc(CC(N)C(=O)O)c1O
InChI Key	GNJCPWFIVYNDNW-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-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and 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 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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