DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:31 UTC
Update Date	2025-03-25 00:57:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227726
Frequency	0.5
Structure
Chemical Formula	C₈H₁₂O₄
Molecular Mass	172.0736
SMILES	CC(=C=O)CCC(O)CC(=O)O
InChI Key	SKHVFYDZRSBFFG-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 fatty acyls hydrocarbon derivatives hydroxy fatty acids ketenes medium-chain fatty acids monocarboxylic acids and derivatives organic oxides secondary alcohols ynolates
Substituents	alcohol fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid carboxylic acid derivative branched fatty acid medium-chain hydroxy acid beta-hydroxy acid organic oxide monocarboxylic acid or derivatives organic oxygen compound ynolate secondary alcohol hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid ketene organooxygen compound

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