DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:13 UTC
Update Date	2025-03-25 00:53:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201752
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇NO₅
Molecular Mass	279.1107
SMILES	Cc1ccc(C(=O)O)c(C)c1CCC(O)=NCC(=O)O
InChI Key	LBOFTKPZMNQXAA-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	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds benzoic acids benzoyl derivatives carbonyl compounds carboximidic acids dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds m-xylenes
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid benzoyl propargyl-type 1,3-dipolar organic compound xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid m-xylene benzoic acid or derivatives organic 1,3-dipolar compound aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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