Compound Identification
SMILES
[Na+].CC(=O)N[C@@H]1[C@@H](O)C[C@@](OCCCSCCNC(=O)C2=CC=C(C=C2)C(=O)NCCSCCCO[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)C(O)[C@H](O)CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C(O)=O)(O[C@H]1C(O)[C@H](O)CNC(=O)C1=CC=C(C=C1)C(F)(F)F)C(O)=O
InChIKey
InChIKey=SKZNMOXQSWSFFE-WOJBRKERSA-N
Formula
C56H70F6N6NaO20S2
Mass
1348.3
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 C-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
C-glucuronides
Alternative Parents
C-glycosyl compounds Trifluoromethylbenzenes Benzamides Benzoyl derivatives Ketals Pyrans Oxanes Dicarboxylic acids and derivatives Acetamides Secondary carboxylic acid amides Secondary alcohols Sulfenyl compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Organic alkali metal salts Organic metal halides Organopnictogen compounds Alkyl fluorides Organofluorides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
C-glucuronide - Glycosyl compound - C-glycosyl compound - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Ketal - Pyran - Oxane - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Acetamide - Secondary alcohol - Secondary carboxylic acid amide - Carboxamide group - Acetal - Organic metal halide - Oxacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.
External Descriptors
Not available