DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:08 UTC
Update Date	2025-03-21 18:00:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026991
Frequency	141.2
Structure
Chemical Formula	C₁₁H₁₅NO₂
Molecular Mass	193.1103
SMILES	NC(CCC(=O)O)Cc1ccccc1
InChI Key	URBAOHLJWLYLQE-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	amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives medium-chain fatty acids monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty acid amino fatty acid aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative medium-chain fatty acid benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amphetamine or derivatives

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