DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:09 UTC
Update Date	2025-03-25 00:56:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220234
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₅N₃O₄
Molecular Mass	347.1845
SMILES	COc1ccc2nccc(C(O)CNCCCCC(N)C(=O)O)c2c1
InChI Key	RGKSUIYSHXEFGW-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	2-halopyridines alkyl aryl ethers alpha amino acids amino acids amino fatty acids anisoles aromatic alcohols azacyclic compounds carbonyl compounds carboxylic acids dialkylamines 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 oxides organopnictogen compounds polyhalopyridines secondary alcohols
Substituents	aromatic alcohol fatty acyl phenol ether carbonyl group ether carboxylic acid amino acid or derivatives amino acid heterocyclic fatty acid polyhalopyridine 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 alcohol secondary aliphatic amine azacycle heteroaromatic compound hydroxypyridine methylpyridine 4-quinolinemethanol secondary amine amino fatty acid monocarboxylic acid or derivatives pyridine organic oxygen compound anisole secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amine

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