DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:21 UTC
Update Date	2025-03-21 17:59:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00022798
Frequency	173.5
Structure
Chemical Formula	C₁₁H₁₀O₅
Molecular Mass	222.0528
SMILES	O=C(O)CC(=O)C=Cc1ccc(O)c(O)c1
InChI Key	PAAXCFOYLSGXQP-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acryloyl compounds 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 monocarboxylic acids and derivatives organic oxides 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,beta-unsaturated ketone carboxylic acid derivative beta-keto acid ketone organic oxide hydroxy fatty acid enone 1-hydroxy-4-unsubstituted benzenoid hydroxycinnamic acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound keto acid phenol hydrocarbon derivative benzenoid acryloyl-group organooxygen compound medium-chain keto acid

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