DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:14 UTC
Update Date	2025-03-25 00:57:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02227122
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₈O₄
Molecular Mass	272.1988
SMILES	CC(CCCC1(C)CC(C)C(C)(C(C)O)O1)C(=O)O
InChI Key	IQJCCSURALGRKJ-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 heteromonocyclic compounds
Alternative Parents	carbonyl compounds carboxylic acids dialkyl ethers heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides oxacyclic compounds secondary alcohols tetrahydrofurans
Substituents	fatty acyl carbonyl group ether carboxylic acid heterocyclic fatty acid fatty acid carboxylic acid derivative medium-chain hydroxy acid dialkyl ether organic oxide aliphatic heteromonocyclic compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol methyl-branched fatty acid tetrahydrofuran branched fatty acid oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative organooxygen compound

Showing information for DMID02227122