Compound Identification
SMILES
NS(=O)(=O)C1=C(Cl)C=C(NCC2=CC=CO2)C(=C1)C(=O)O[C@@H]1OC([C@@H](O)C(O)C1O)C(O)=O
InChIKey
InChIKey=RNVHHPUYELVHRE-MWTYEHBWSA-N
Formula
C18H19ClN2O11S
Mass
506.86
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
-
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
Hexoses Aminobenzenesulfonamides 4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Benzoic acid esters Benzenesulfonyl compounds Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Secondary alkylarylamines Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Aryl chlorides Oxanes Organosulfonamides Dicarboxylic acids and derivatives Aminosulfonyl compounds Vinylogous amides Furans Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Amino acids Carboxylic acids Oxacyclic compounds Acetals Polyols Organochlorides Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - Aminobenzenesulfonamide - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl chloride - Hydroxy acid - Monosaccharide - Dicarboxylic acid or derivatives - Organosulfonic acid amide - Benzenoid - Oxane - Monocyclic benzene moiety - Pyran - Aryl halide - Vinylogous amide - Furan - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid - Acetal - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Secondary amine - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Alcohol - Amine - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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