DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:03 UTC
Update Date	2025-03-21 18:04:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052903
Frequency	61.4
Structure
Chemical Formula	C₁₁H₁₆NO₃+
Molecular Mass	210.1125
SMILES	C[N+](C)(C)c1cc(CC(=O)O)ccc1O
InChI Key	BDLNGPZKEYHTBZ-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	aniline and substituted anilines
Direct Parent	aniline and substituted anilines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids amines carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds quaternary ammonium salts o-aminophenols
Substituents	carbonyl group carboxylic acid aniline or substituted anilines quaternary ammonium salt aminophenol 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative aromatic homomonocyclic compound organic oxide monocarboxylic acid or derivatives organic oxygen compound organonitrogen compound organopnictogen compound phenol hydrocarbon derivative organic nitrogen compound organic cation o-aminophenol organic salt amine organooxygen compound

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