DeepMet

Record Information
HMDB Status	predicted
Creation Date	2024-02-21 00:13:15 UTC
Update Date	2025-03-21 18:33:00 UTC
HMDB ID	HMDB0136312
Metabolite Identification
DeepMet ID	DMID00093816
Name	(2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}ethyl)trimethylazanium
Frequency	29.7
Structure
Chemical Formula	C₁₄H₂₀NO₄+
Molecular Mass	266.1387
SMILES	C[N+](C)(C)CCOC(=O)C=Cc1ccc(O)c(O)c1
InChI Key	HLGBXKIGYXVIFU-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	cinnamic acids and derivatives
Subclass	hydroxycinnamic acids and derivatives
Direct Parent	hydroxycinnamic acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acyl cholines amines benzene and substituted derivatives carbonyl compounds enoate esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative alpha,beta-unsaturated carboxylic ester organic oxide organonitrogen compound organopnictogen compound organic cation organic salt enoate ester tetraalkylammonium salt quaternary ammonium salt 1-hydroxy-4-unsubstituted benzenoid hydroxycinnamic acid aromatic homomonocyclic compound fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester acyl choline phenol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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