DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:01 UTC
Update Date	2025-03-21 18:28:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00071783
Frequency	41.7
Structure
Chemical Formula	C₁₁H₁₅NO₃
Molecular Mass	209.1052
SMILES	NC(CCC(=O)O)Cc1ccc(O)cc1
InChI Key	VHWBYQPKMIHOSS-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	1-hydroxy-2-unsubstituted benzenoids amino fatty acids amphetamines and derivatives benzene and substituted derivatives carbocyclic fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives 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 1-hydroxy-2-unsubstituted benzenoid fatty acid medium-chain hydroxy acid organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives amino fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID00071783