Compound Identification
SMILES
CN(CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)N=NC1=C(Cl)C=C(Cl)C=C1Cl
InChIKey
InChIKey=YTMCIHZHJQPZNT-BYNIDDHOSA-N
Formula
C14H16Cl3N3O7
Mass
444.65
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 Beta hydroxy acids and derivatives Chlorobenzenes Aryl chlorides Pyrans Monosaccharides Oxanes Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Oxacyclic compounds Polyols Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Glycosyl compound - O-glycosyl compound - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Monosaccharide - Pyran - Oxane - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Acetal - Polyol - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organonitrogen compound - Organochloride - 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