DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:25 UTC
Update Date	2025-03-25 00:45:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02152105
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₇NO₄
Molecular Mass	239.1158
SMILES	NC(CO)C(CC(=O)O)Cc1cccc(O)c1
InChI Key	NVPMPGRLNMCIJD-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 benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds primary alcohols
Substituents	alcohol monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound primary alcohol organooxygen compound

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