Compound Identification
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C1=CC=CC=C1CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey
InChIKey=WBHLKSPUFNHOSS-KSSXRGRSSA-N
Formula
C22H22N2O8
Mass
442.424
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
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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
O-glycosyl compounds Quinazolines Pyrimidones Beta hydroxy acids and derivatives Pyrans Oxanes Monosaccharides Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Lactams Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - O-glycosyl compound - Glycosyl compound - Diazanaphthalene - Quinazoline - Pyrimidone - Beta-hydroxy acid - Benzenoid - Pyrimidine - Pyran - Oxane - Monosaccharide - Hydroxy acid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic 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