DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:14 UTC
Update Date	2025-03-25 00:57:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227138
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅NO₄
Molecular Mass	237.1001
SMILES	CC(CCN=C(O)c1ccc(O)cc1)C(=O)O
InChI Key	WIPYMNALDNORML-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 benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives 1-hydroxy-2-unsubstituted benzenoid organic 1,3-dipolar compound propargyl-type 1,3-dipolar organic compound aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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