DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:20 UTC
Update Date	2025-03-25 01:01:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250175
Frequency	0.5
Structure
Chemical Formula	C₁₆H₁₅NO₁₀
Molecular Mass	381.0696
SMILES	O=C(O)c1ccc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)cc2n1
InChI Key	CFEBOJCBIGKUPB-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	1-hydroxy-2-unsubstituted benzenoids 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 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
Substituents	pyridine carboxylic acid or derivatives phenol ether carbonyl group carboxylic acid polyhalopyridine o-glucuronide 1-hydroxy-2-unsubstituted benzenoid 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 pyran carboxylic acid or derivatives azacycle heteroaromatic compound hydroxypyridine hydroxy acid oxacycle 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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