DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:13:48 UTC
Update Date	2025-03-25 00:58:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02232817
Frequency	0.5
Structure
Chemical Formula	C₉H₁₄O₄
Molecular Mass	186.0892
SMILES	CC=CC(=O)CCC(C)(O)C(=O)O
InChI Key	OVTAHBXBYXUHFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	hydroxy acids and derivatives
Subclass	medium-chain hydroxy acids and derivatives
Direct Parent	medium-chain hydroxy acids and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acryloyl compounds alpha hydroxy acids and derivatives carboxylic acids enones fatty acyls hydrocarbon derivatives hydroxy fatty acids ketones medium-chain fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides tertiary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid methyl-branched fatty acid alpha-hydroxy acid alpha,beta-unsaturated ketone carboxylic acid derivative branched fatty acid medium-chain hydroxy acid ketone tertiary alcohol organic oxide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid acryloyl-group organooxygen compound enone

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