Compound Identification
SMILES
CO[C@H]1O[C@H](CS[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=WMDMEJIQLIUPHY-VXIYVSHCSA-N
Formula
C18H31NO13S
Mass
501.5
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
-
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 O-glycosyl compounds Heterocyclic fatty acids Hydroxy fatty acids Monothioketals Oxanes Pyrans Monosaccharides Acetamides Secondary alcohols Secondary carboxylic acid amides Polyols Oxacyclic compounds Carboxylic acids Acetals Monocarboxylic acids and derivatives Sulfenyl compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
C-glucuronide - C-glycosyl compound - O-glycosyl compound - Glycosyl compound - Monothioketal - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acid - Oxane - Monosaccharide - Pyran - Fatty acyl - Monothioacetal - Acetamide - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Polyol - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Primary alcohol - Alcohol - Organosulfur compound - Organonitrogen compound - Aliphatic 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