DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:42 UTC
Update Date	2025-03-25 00:54:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207417
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₃NO₄
Molecular Mass	271.0845
SMILES	Nc1ccc(C(=O)OCC(=O)c2ccccc2O)cc1
InChI Key	ZPUDLRHWNQULRJ-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-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino acids and derivatives aryl alkyl ketones benzoic acid esters benzoyl derivatives carboxylic acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines vinylogous acids
Substituents	monocyclic benzene moiety aryl alkyl ketone amino acid or derivatives benzoyl 1-hydroxy-2-unsubstituted benzenoid benzoate ester carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound vinylogous acid monocarboxylic acid or derivatives carboxylic acid ester phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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