DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:41:06 UTC
Update Date	2025-03-21 17:58:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00017789
Frequency	272.8
Structure
Chemical Formula	C₁₆H₁₅NO₁₀
Molecular Mass	381.0696
SMILES	O=C(O)c1cc(=O)c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2[nH]1
InChI Key	OPOOISVNARDWIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	2-halopyridines acetals azacyclic compounds beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hydroquinolines hydroquinolones hydroxypyridines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenol ethers polyhalopyridines pyran carboxylic acids pyridine-2-carboxylic acids quinoline carboxylic acids secondary alcohols vinylogous amides
Substituents	pyridine carboxylic acid or derivatives phenol ether carbonyl group carboxylic acid polyhalopyridine o-glucuronide monosaccharide carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide pyridine-2-carboxylic acid acetal aromatic heteropolycyclic compound quinoline organonitrogen compound organopnictogen compound 2-halopyridine oxane organoheterocyclic compound alcohol vinylogous amide pyran carboxylic acid or derivatives azacycle heteroaromatic compound hydroxypyridine dihydroquinoline hydroxy acid oxacycle dihydroquinolone pyridine pyran pyridine carboxylic acid secondary alcohol dicarboxylic acid or derivatives quinoline-2-carboxylic acid hydrocarbon derivative benzenoid organic nitrogen compound

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