DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:44 UTC
Update Date	2025-03-25 00:48:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168711
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	CC(C)C(=O)Nc1cccc(C(=O)O)c1N
InChI Key	OTOUOIDDSILAIO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	acylaminobenzoic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids anilides benzoic acids benzoyl derivatives carbonyl compounds hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl n-arylamide carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid vinylogous amide acylaminobenzoic acid or derivatives carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

Showing information for DMID02168711