DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:39 UTC
Update Date	2025-03-21 18:38:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00121542
Frequency	21.3
Structure
Chemical Formula	C₁₁H₁₁NO₆
Molecular Mass	253.0586
SMILES	Nc1ccc(O)cc1C(=O)CC(C(=O)O)C(=O)O
InChI Key	QCUZBZDOLSMUEY-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	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids dicarboxylic acids and derivatives gamma-keto acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound vinylogous amide gamma-keto acid butyrophenone aromatic homomonocyclic compound keto acid dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound 1,3-dicarbonyl compound amine alkyl-phenylketone

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