DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:49 UTC
Update Date	2025-03-21 18:29:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076088
Frequency	38.8
Structure
Chemical Formula	C₁₆H₁₇NO₉
Molecular Mass	367.0903
SMILES	COc1cc2cccc(O)c2nc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	IADXLYCIMXMVFW-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 1-hydroxy-4-unsubstituted benzenoids 2-halopyridines 8-hydroxyquinolines acetals alkyl aryl ethers azacyclic compounds benzenoids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids glucuronic acid derivatives heteroaromatic compounds hydrocarbon derivatives hydroxypyridines methylpyridines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes polyhalopyridines pyran carboxylic acids quinolones and derivatives secondary alcohols
Substituents	carbonyl group ether carboxylic acid polyhalopyridine o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound quinoline organopnictogen compound 2-halopyridine oxane organoheterocyclic compound alcohol quinolone pyran carboxylic acid or derivatives 8-hydroxyquinoline azacycle heteroaromatic compound hydroxypyridine methylpyridine hydroxy acid 1-hydroxy-4-unsubstituted benzenoid oxacycle monocarboxylic acid or derivatives pyridine pyran secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound

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