DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:41 UTC
Update Date	2025-03-21 18:40:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128709
Frequency	19.8
Structure
Chemical Formula	C₁₇H₂₂O₄
Molecular Mass	290.1518
SMILES	COc1ccc(C=CC(=O)OCC(C)CCC(C)=O)cc1
InChI Key	HFHAVORMJUSVFK-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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