DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:21 UTC
Update Date	2025-03-25 00:59:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02238609
Frequency	0.5
Structure
Chemical Formula	C₂₁H₁₉NO₁₀
Molecular Mass	445.1009
SMILES	O=C(O)C1OC(Oc2ccc3[nH]c(-c4ccc(O)cc4)c(O)c(=O)c3c2)C(O)C(O)C1O
InChI Key	BJZOPMIMTHPPQY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	phenylquinolines
Direct Parent	phenylquinolines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 2-halopyridines acetals azacyclic compounds benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers polyhalopyridines pyran carboxylic acids secondary alcohols vinylogous amides
Substituents	phenol ether monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives phenylquinoline polyhalopyridine o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound 2-halopyridine oxane alcohol vinylogous amide pyran carboxylic acid or derivatives azacycle heteroaromatic compound hydroxypyridine dihydroquinoline hydroxy acid oxacycle monocarboxylic acid or derivatives dihydroquinolone pyridine organic oxygen compound pyran secondary alcohol phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02238609