DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:37 UTC
Update Date	2025-03-25 01:01:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02246243
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₈O₆
Molecular Mass	246.1103
SMILES	CC1(CCCCC(=O)O)CCC(O)(C(=O)O)O1
InChI Key	XOBUUYTWPJRXPE-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	alpha hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hemiacetals heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids organic oxides oxacyclic compounds tetrahydrofurans
Substituents	fatty acyl carbonyl group carboxylic acid tetrahydrofuran heterocyclic fatty acid alpha-hydroxy acid fatty acid carboxylic acid derivative medium-chain hydroxy acid oxacycle organic oxide organic oxygen compound aliphatic heteromonocyclic compound dicarboxylic acid or derivatives hemiacetal hydrocarbon derivative medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound organooxygen compound

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