DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:16 UTC
Update Date	2025-03-21 18:29:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077198
Frequency	38.0
Structure
Chemical Formula	C₁₃H₂₀NO₃+
Molecular Mass	238.1438
SMILES	COc1ccc(C(=O)OCC[N+](C)(C)C)cc1
InChI Key	NSLBCJRAXQOETE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	p-methoxybenzoic acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers amines anisoles benzoic acid esters benzoyl derivatives carboxylic acid esters hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds phenoxy compounds tetraalkylammonium salts
Substituents	phenol ether ether benzoyl benzoate ester alkyl aryl ether carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound organic cation organic salt tetraalkylammonium salt quaternary ammonium salt methoxybenzene aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound p-methoxybenzoic acid or derivatives anisole carboxylic acid ester hydrocarbon derivative organic nitrogen compound phenoxy compound amine organooxygen compound

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