Compound Identification
SMILES
COC(=O)[C@@]1(C[C@H](O)[C@@H](O)[C@@H](O1)[C@@H](O)[C@H](O)CO)N1N=NN(C1=S)C1=CC=CC=C1
InChIKey
InChIKey=VVAUKKXCUFCAJT-UFZBQXAWSA-N
Formula
C17H22N4O8S
Mass
442.44
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
Phenyltetrazoles and derivatives C-glycosyl compounds Alpha amino acids and derivatives Pyrans Oxanes Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organosulfur compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
C-glucuronide - C-glycosyl compound - Glycosyl compound - Phenyltetrazole - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Oxane - Pyran - Benzenoid - Tetrazole - Azole - Methyl ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - 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