DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:01 UTC
Update Date	2025-03-21 18:31:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00086155
Frequency	33.1
Structure
Chemical Formula	C₁₅H₁₈N₂O₇
Molecular Mass	338.1114
SMILES	NC(Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C(=O)O
InChI Key	VQCYFYIHPCXIEG-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	alpha amino acids amphetamines and derivatives benzoyl derivatives carbonyl compounds carboxylic acids glutamic acid and derivatives hippuric acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid benzoyl tricarboxylic acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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