DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:40 UTC
Update Date	2025-03-21 18:06:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061435
Frequency	50.7
Structure
Chemical Formula	C₁₈H₂₁N₃O₄
Molecular Mass	343.1532
SMILES	CC1COc2c(N3CCN(C)CC3)ccc3c(=O)c(C(=O)O)cn1c23
InChI Key	ANLIAKDHRADSBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinoline carboxylic acids
Direct Parent	quinoline carboxylic acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines alkyl aryl ethers amino acids aminoquinolines and derivatives azacyclic compounds benzenoids benzoxazines carboxylic acids dialkylarylamines heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines methylpyridines monocarboxylic acids and derivatives n-arylpiperazines n-methylpiperazines organic oxides organopnictogen compounds oxacyclic compounds polyhalopyridines pyridine-3-carboxylic acids trialkylamines vinylogous amides
Substituents	pyridine carboxylic acid or derivatives ether carboxylic acid amino acid or derivatives amino acid pyridine-3-carboxylic acid polyhalopyridine alkyl aryl ether carboxylic acid derivative quinoline-3-carboxylic acid organic oxide piperazine aromatic heteropolycyclic compound tertiary aliphatic/aromatic amine organonitrogen compound organopnictogen compound 2-halopyridine dialkylarylamine tertiary amine vinylogous amide azacycle n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine hydroxypyridine dihydroquinoline n-methylpiperazine benzoxazine methylpyridine oxacycle monocarboxylic acid or derivatives dihydroquinolone pyridine organic oxygen compound 1,4-diazinane pyridine carboxylic acid aminoquinoline hydrocarbon derivative benzenoid organic nitrogen compound amine n-arylpiperazine organooxygen compound

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