DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:13 UTC
Update Date	2025-03-21 18:41:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134535
Frequency	18.7
Structure
Chemical Formula	C₁₃H₁₅NO₃
Molecular Mass	233.1052
SMILES	O=C(O)CCCNC(=O)C=Cc1ccccc1
InChI Key	AUVXCBZLFARHDB-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	gamma amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	benzene and substituted derivatives carbonyl compounds carboxylic acids cinnamic acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide cinnamic acid or derivatives organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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