Compound Identification
SMILES
CN1C=CC(=O)C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1C
InChIKey
InChIKey=VOJFZOAEFOZFIL-JDQAZDLZSA-N
Formula
C13H17NO8
Mass
315.278
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
-
Level 7
Glucuronides
- Level 8 O-glucuronides
-
Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
-
Level 5
Sugar acids and derivatives
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent
O-glucuronides
Alternative Parents
Hexoses O-glycosyl compounds Beta hydroxy acids and derivatives Dihydropyridines Methylpyridines Pyrans Oxanes Vinylogous amides Heteroaromatic compounds Secondary alcohols Cyclic ketones Acetals Azacyclic compounds Polyols Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Dihydropyridine - Methylpyridine - Hydropyridine - Oxane - Hydroxy acid - Pyran - Monosaccharide - Pyridine - Vinylogous amide - Heteroaromatic compound - Secondary alcohol - Cyclic ketone - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Alcohol - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
External Descriptors
Not available