Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=C(O)C=CC(=C2)C2=C(F)C=C(F)C=C2)O[C@@H]([C@H]1O)C(O)=O
InChIKey
InChIKey=HDNSISKAKJZJPR-NAHJCDBISA-N
Formula
C19H16F2O9
Mass
426.325
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
Biphenyls and derivatives Hexoses o-Hydroxybenzoic acid esters Salicylic acid and derivatives Benzoyl derivatives Beta hydroxy acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Dicarboxylic acids and derivatives Pyrans Oxanes Vinylogous acids Carboxylic acid esters Secondary alcohols Acetals Carboxylic acids Oxacyclic compounds Polyols Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Biphenyl - Hexose monosaccharide - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Hydroxy acid - Monosaccharide - Oxane - Vinylogous acid - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Oxacycle - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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