DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:27 UTC
Update Date	2025-03-25 00:57:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225408
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃NO₄
Molecular Mass	223.0845
SMILES	CC(=O)Nc1cccc(C(C)C(=O)O)c1O
InChI Key	BVEKUVTVQMRLSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	phenylpropanoic acids
Subclass	phenylpropanoic acids
Direct Parent	phenylpropanoic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids acetamides acetanilides carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acetylarylamines organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid n-acetylarylamine n-arylamide carboxylic acid derivative organic oxide 2-phenylpropanoic-acid organonitrogen compound organopnictogen compound acetamide acetanilide 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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