Compound Identification
SMILES
O[C@H](CNC[C@@H](OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@@H]1CCC2=C(O1)C=CC(F)=C2)[C@H]1CCC2=C(O1)C=CC(F)=C2.O[C@H](CNC[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H]1CCC2=C(O1)C=CC(F)=C2)[C@@H]1CCC2=C(O1)C=CC(F)=C2
InChIKey
InChIKey=RRWUDZCVQRIHOG-SFMHHOQBSA-N
Formula
C56H66F4N2O20
Mass
1163.132
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
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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 1-benzopyrans Aralkylamines Beta hydroxy acids and derivatives Alkyl aryl ethers Pyrans Aryl fluorides Oxanes Benzenoids Monosaccharides Secondary alcohols 1,2-aminoalcohols Amino acids Carboxylic acids Oxacyclic compounds Polyols Dialkylamines Acetals Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Not available
Substituents
1-o-glucuronide - O-glucuronide - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - 1-benzopyran - Beta-hydroxy acid - Aralkylamine - Alkyl aryl ether - Benzenoid - Hydroxy acid - Monosaccharide - Aryl halide - Pyran - Aryl fluoride - Oxane - 1,2-aminoalcohol - Secondary alcohol - Amino acid - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Acetal - Polyol - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organohalogen compound - Amine - Organofluoride - Organonitrogen compound - 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