DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:14:49 UTC
Update Date	2025-03-21 18:33:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00097623
Frequency	28.2
Structure
Chemical Formula	C₁₁H₁₁NO₄
Molecular Mass	221.0688
SMILES	NC(C(=O)O)C(=O)C=Cc1ccc(O)cc1
InChI Key	OENJOMUYXIXACI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	hydroxycinnamic acids and derivatives
Direct Parent	hydroxycinnamic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids acryloyl compounds alpha amino acids amino fatty acids benzene and substituted derivatives beta-hydroxy ketones beta-keto acids and derivatives carbocyclic fatty acids carboxylic acids enones fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds b'-hydroxy-alpha,beta-unsaturated ketones
Substituents	fatty acyl beta-hydroxy ketone carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid b'-hydroxy-alpha,beta-unsaturated-ketone 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives alpha,beta-unsaturated ketone carboxylic acid derivative beta-keto acid ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid enone amino fatty acid hydroxycinnamic acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound keto acid phenol hydrocarbon derivative benzenoid acryloyl-group primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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