Compound Identification
SMILES
[Na+].CC([O-])=N[C@@H]1[C@@H](O)C[C@](O[C@H]1[C@H](O)[C@H](O)CO)(SC1=CC=C(C=C1)N=C=S)C(O)=O
InChIKey
InChIKey=OULOUUNZRPMGFC-FHWQBVENSA-M
Formula
C18H21N2NaO8S2
Mass
480.48
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
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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
C-glucuronides
Alternative Parents
C-glycosyl compounds Aryl thioethers Monothioketals Pyrans Benzene and substituted derivatives Oxanes Secondary alcohols Isothiocyanates Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Polyols Monocarboxylic acids and derivatives Oxacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
C-glucuronide - C-glycosyl compound - Glycosyl compound - Aryl thioether - Monothioketal - Monocyclic benzene moiety - Oxane - Pyran - Benzenoid - Monothioacetal - Isothiocyanate - Secondary alcohol - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Organoheterocyclic compound - Polyol - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Alcohol - Organic sodium salt - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Primary alcohol - Organic salt - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxide - 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