DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:43 UTC
Update Date	2025-03-21 18:05:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056753
Frequency	56.1
Structure
Chemical Formula	C₁₄H₁₇NO₅
Molecular Mass	279.1107
SMILES	CC(=O)NC(Cc1ccc(C(C)C(=O)O)cc1)C(=O)O
InChI Key	VDQMLDYIBVZICO-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	acetamides alpha amino acids amphetamines and derivatives aromatic monoterpenoids benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monocyclic monoterpenoids n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides
Substituents	monoterpenoid monocyclic benzene moiety carbonyl group monocyclic monoterpenoid carboxylic acid 3-phenylpropanoic-acid p-cymene organic oxide 2-phenylpropanoic-acid organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound aromatic monoterpenoid

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