DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:16 UTC
Update Date	2025-03-25 00:55:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213575
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₂N₂O₄
Molecular Mass	342.158
SMILES	COC(=O)C1C2CCN(C2)C1C(O)c1ccnc2ccc(OC)cc12
InChI Key	FHHGLXPSVNYISF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	4-quinolinemethanols
Direct Parent	4-quinolinemethanols
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-aminoalcohols 2-halopyridines alkyl aryl ethers amino acids and derivatives anisoles aromatic alcohols azacyclic compounds carbonyl compounds heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methyl esters methylpyridines monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds piperidinecarboxylic acids piperidines polyhalopyridines pyrrolidine carboxylic acids secondary alcohols trialkylamines
Substituents	aromatic alcohol phenol ether carbonyl group ether amino acid or derivatives polyhalopyridine alkyl aryl ether carboxylic acid derivative organic oxide methyl ester aromatic heteropolycyclic compound pyrrolidine carboxylic acid organonitrogen compound organopnictogen compound piperidinecarboxylic acid 2-halopyridine piperidine pyrrolidine tertiary amine alcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol heteroaromatic compound tertiary aliphatic amine hydroxypyridine methylpyridine 4-quinolinemethanol monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives pyridine organic oxygen compound anisole carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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