DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:22 UTC
Update Date	2025-03-25 00:54:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208994
Frequency	0.5
Structure
Chemical Formula	C₉H₁₆O₃
Molecular Mass	172.1099
SMILES	CC(C)=CC(C)(O)C(C)C(=O)O
InChI Key	WUWVMXNXKUMEOW-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	carbonyl compounds carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids 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 carboxylic acid derivative branched fatty acid medium-chain hydroxy acid tertiary alcohol organic oxide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound

Showing information for DMID02208994