DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:47 UTC
Update Date	2025-03-25 00:47:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02164210
Frequency	0.5
Structure
Chemical Formula	C₇H₁₂O₄
Molecular Mass	160.0736
SMILES	CC(O)C(C=O)CCC(=O)O
InChI Key	NIDBCXZSQCNVPV-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	beta-hydroxy aldehydes branched fatty acids carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides secondary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound beta-hydroxy aldehyde carbonyl group carboxylic acid fatty acid aldehyde carboxylic acid derivative branched fatty acid medium-chain hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organooxygen compound

Showing information for DMID02164210