DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:03 UTC
Update Date	2025-03-21 18:00:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026776
Frequency	142.4
Structure
Chemical Formula	C₁₈H₂₄O₄
Molecular Mass	304.1675
SMILES	CCC(CCC(C)=O)COC(=O)C=Cc1ccc(OC)cc1
InChI Key	DOBHUUBSDKRCSA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	cinnamic acids and derivatives
Direct Parent	cinnamic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers anisoles enoate esters fatty acid esters hydrocarbon derivatives ketones methoxybenzenes monocarboxylic acids and derivatives organic oxides phenoxy compounds
Substituents	enoate ester fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether alkyl aryl ether carboxylic acid derivative methoxybenzene ketone aromatic homomonocyclic compound alpha,beta-unsaturated carboxylic ester fatty acid ester cinnamic acid or derivatives organic oxide monocarboxylic acid or derivatives organic oxygen compound anisole carboxylic acid ester hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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