DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:20 UTC
Update Date	2025-03-25 00:56:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02215965
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₅
Molecular Mass	293.1263
SMILES	CCCCC(O)=NC(Cc1ccccc1C(=O)O)C(=O)O
InChI Key	HXQZCDBWLYJBDJ-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-carboxy-2-haloaromatic compounds alpha amino acids amphetamines and derivatives benzoic acids benzoyl derivatives carbonyl compounds carboximidic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid benzoyl propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid amphetamine or derivatives benzoic acid or derivatives organic 1,3-dipolar compound aromatic homomonocyclic compound phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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