DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:32 UTC
Update Date	2025-03-25 00:59:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234522
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₉N₂O₂+
Molecular Mass	211.1441
SMILES	C[N+](C)(C)c1cc(CCN)cc(O)c1O
InChI Key	FRLXOISFCMDLNZ-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 1-hydroxy-4-unsubstituted benzenoids amines hydrocarbon derivatives monoalkylamines organic cations organic salts organooxygen compounds organopnictogen compounds quaternary ammonium salts m-aminophenols o-aminophenols
Substituents	m-aminophenol aniline or substituted anilines quaternary ammonium salt aminophenol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid aromatic homomonocyclic compound organic oxygen compound organonitrogen compound organopnictogen compound phenol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organic cation o-aminophenol organic salt amine organooxygen compound

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