DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:58 UTC
Update Date	2025-03-21 18:37:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00117573
Frequency	22.3
Structure
Chemical Formula	C₂₃H₃₆O₅
Molecular Mass	392.2563
SMILES	CCC(CCCC(=O)O)COC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChI Key	MWRDWJGOSPTHSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	p-hydroxybenzoic acid alkyl esters
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	benzoyl derivatives branched fatty acids carbocyclic fatty acids carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives organic oxides phenols phenylpropanes
Substituents	fatty acyl carbocyclic fatty acid carbonyl group carboxylic acid benzoyl fatty acid carboxylic acid derivative medium-chain hydroxy acid phenylpropane organic oxide medium-chain fatty acid hydroxy fatty acid p-hydroxybenzoic acid alkyl ester branched fatty acid aromatic homomonocyclic compound organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative organooxygen compound

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