Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@@](O)(Cl)[C@](Br)(O[C@H]1OC1=CNC2=CC=CC=C12)C([O-])=O
InChIKey
InChIKey=VLMOKRZATPITFD-XMKDAVRRSA-M
Formula
C14H12BrClNO7
Mass
421.6
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 Indoles Substituted pyrroles Pyrans Oxanes Monosaccharides Benzenoids Heteroaromatic compounds Alpha-halocarboxylic acids Secondary alcohols Chlorohydrins Bromohydrins Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Acetals Carboxylic acids Oxacyclic compounds Polyols Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Alkyl chlorides Alkyl bromides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Glycosyl compound - O-glycosyl compound - Indole - Indole or derivatives - Monosaccharide - Benzenoid - Substituted pyrrole - Pyran - Oxane - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Bromohydrin - Carboxylic acid salt - Chlorohydrin - Halohydrin - Secondary alcohol - Polyol - Acetal - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Organonitrogen compound - Organic oxide - Alkyl bromide - Alkyl chloride - Alcohol - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organic anion - 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