DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:57 UTC
Update Date	2025-03-21 18:41:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136217
Frequency	18.4
Structure
Chemical Formula	C₁₁H₁₃NO₄
Molecular Mass	223.0845
SMILES	Cc1cccc(C(=O)CC(N)C(=O)O)c1O
InChI Key	MYCKBUGCKRHULP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids alpha amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds ortho cresols toluenes vinylogous acids
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide o-cresol organonitrogen compound alpha-amino acid organopnictogen compound 1-hydroxy-4-unsubstituted benzenoid gamma-keto acid butyrophenone aromatic homomonocyclic compound vinylogous acid monocarboxylic acid or derivatives keto acid phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound toluene alkyl-phenylketone

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