DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:06 UTC
Update Date	2025-03-21 18:02:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00038775
Frequency	90.1
Structure
Chemical Formula	C₁₉H₁₇NO₈
Molecular Mass	387.0954
SMILES	O=C(O)C1OC(Oc2ccc3c(c2)[nH]c(=O)c2ccccc23)C(O)C(O)C1O
InChI Key	PKRBYTWLFVJLLI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	quinolines and derivatives
Subclass	benzoquinolines
Direct Parent	phenanthridines and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines acetals azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines isoquinolones and derivatives lactams monocarboxylic acids and derivatives monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers polyhalopyridines pyran carboxylic acids pyridinones secondary alcohols
Substituents	phenol ether carbonyl group lactam carboxylic acid glucuronic acid or derivatives polyhalopyridine o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound isoquinolone 2-halopyridine oxane alcohol pyran carboxylic acid or derivatives azacycle heteroaromatic compound hydroxypyridine dihydroquinoline hydroxy acid oxacycle monocarboxylic acid or derivatives dihydroquinolone pyridine organic oxygen compound pyran isoquinoline secondary alcohol hydrocarbon derivative benzenoid phenanthridine organic nitrogen compound pyridinone organooxygen compound

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