DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:27 UTC
Update Date	2025-03-25 00:50:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179555
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₁N₂O₄+
Molecular Mass	305.1496
SMILES	COc1ccc2cccc(O)c2[n+]1CCCCC(N)C(=O)O
InChI Key	CPTLAULJUCORNC-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	quinolones and derivatives
Direct Parent	quinolones and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-halopyridines 8-hydroxyquinolines alkyl aryl ethers alpha amino acids amino fatty acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids hydroxypyridines medium-chain fatty acids medium-chain hydroxy acids and derivatives methylpyridines monoalkylamines monocarboxylic acids and derivatives organic cations organic oxides organonitrogen compounds organopnictogen compounds polyhalopyridines
Substituents	fatty acyl carbonyl group ether carboxylic acid heterocyclic fatty acid polyhalopyridine 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives alkyl aryl ether carboxylic acid derivative medium-chain hydroxy acid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid 2-halopyridine organic cation quinolone 8-hydroxyquinoline azacycle heteroaromatic compound hydroxypyridine methylpyridine 1-hydroxy-4-unsubstituted benzenoid amino fatty acid monocarboxylic acid or derivatives pyridine organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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