DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:23:02 UTC
Update Date	2025-03-21 18:37:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117710
Frequency	22.2
Structure
Chemical Formula	C₇H₁₄O₃
Molecular Mass	146.0943
SMILES	CCC(O)CC(C)C(=O)O
InChI Key	IEKOVOZDWRKMKM-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 hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides secondary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid methyl-branched fatty acid fatty acid 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

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