DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:35:25 UTC
Update Date	2025-03-21 17:56:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00004831
Frequency	1188.4
Structure
Chemical Formula	C₁₀H₁₂N₂O₄
Molecular Mass	224.0797
SMILES	NC(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	PNLKYZVGQWCHBH-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	tyrosine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-carbamoyl-alpha amino acids organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic oxide n-carbamoyl-alpha-amino acid or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives carbonic acid derivative tyrosine or derivatives n-carbamoyl-alpha-amino acid aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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