DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:17 UTC
Update Date	2025-03-25 00:45:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02151772
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅NO₄
Molecular Mass	225.1001
SMILES	NC(CCC(=O)O)Cc1ccc(O)cc1O
InChI Key	XKWJWRVTYNQYPF-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 1-hydroxy-4-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 resorcinols
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 resorcinol organic oxide organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid amphetamine or derivatives 1-hydroxy-4-unsubstituted benzenoid 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

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