DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:37:08 UTC
Update Date	2025-03-21 17:57:34 UTC
HMDB ID	HMDB0004083
Metabolite Identification
DeepMet ID	DMID00008772
Name	4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid
Frequency	556.0
Structure
Chemical Formula	C₁₀H₉NO₅
Molecular Mass	223.0481
SMILES	Nc1c(O)cccc1C(=O)CC(=O)C(=O)O
InChI Key	YCJNYHCCOXVYAF-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 alpha-hydroxy ketones alpha-keto acids and derivatives amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and 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 alpha-hydroxy ketone carboxylic acid derivative organic oxide organonitrogen compound alpha-keto acid organopnictogen compound vinylogous amide 1-hydroxy-4-unsubstituted benzenoid gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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