DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:10 UTC
Update Date	2025-03-25 00:59:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238226
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₇NO₆
Molecular Mass	319.1056
SMILES	O=C(O)CCC(O)CCn1c(C(=O)O)cc(=O)c2ccccc21
InChI Key	QAJPZBLOOWLWMB-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 amino fatty acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroquinolines hydroquinolones hydroxy fatty acids hydroxypyridines medium-chain fatty acids medium-chain hydroxy acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines pyridine-2-carboxylic acids secondary alcohols vinylogous amides
Substituents	pyridine carboxylic acid or derivatives fatty acyl carbonyl group carboxylic acid heterocyclic fatty acid polyhalopyridine fatty acid carboxylic acid derivative medium-chain hydroxy acid organic oxide pyridine-2-carboxylic acid aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound medium-chain fatty acid hydroxy fatty acid 2-halopyridine alcohol vinylogous amide azacycle heteroaromatic compound hydroxypyridine dihydroquinoline amino fatty acid dihydroquinolone pyridine organic oxygen compound pyridine carboxylic acid secondary alcohol dicarboxylic acid or derivatives quinoline-2-carboxylic acid hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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