DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:24:01 UTC
Update Date	2025-03-21 18:38:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00120010
Frequency	21.7
Structure
Chemical Formula	C₇H₁₄O₄
Molecular Mass	162.0892
SMILES	CC(O)CCC(CO)C(=O)O
InChI Key	BSJCZJJHYIECJY-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 acids and derivatives branched fatty acids carbonyl compounds carboxylic acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids monocarboxylic acids and derivatives organic oxides primary alcohols secondary alcohols
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid beta-hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid primary alcohol organooxygen compound

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