DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:32 UTC
Update Date	2025-03-21 18:06:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00063421
Frequency	48.7
Structure
Chemical Formula	C₁₀H₁₁NO₄
Molecular Mass	209.0688
SMILES	CN(CC(=O)O)C(=O)c1cccc(O)c1
InChI Key	QRLIAWZCYUHICW-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds tertiary carboxylic acid amides
Substituents	carbonyl group carboxylic acid benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative organic nitrogen compound organooxygen compound

Showing information for DMID00063421