DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:18 UTC
Update Date	2025-03-21 18:06:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00062875
Frequency	49.2
Structure
Chemical Formula	C₁₁H₁₁NO₅
Molecular Mass	237.0637
SMILES	CN(CC(=O)O)C(=O)c1ccccc1C(=O)O
InChI Key	VUKQUAOBKYDLBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	hippuric acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alpha amino acids benzoic acids benzoyl derivatives carbonyl compounds dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives carboxamide group aromatic homomonocyclic compound organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound organooxygen compound

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