Compound Identification
SMILES
[H]\C(C=O)=C1\S[C@@]([H])(N=C1C)C(=O)OC1([H])OC([H])(C(O)=O)C([H])(O)C([H])(O)C1([H])O
InChIKey
InChIKey=OPALSDROTPGDEN-AXZSSGOOSA-N
Formula
C13H15NO9S
Mass
361.32
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
Alpha amino acid esters Thiazolecarboxylic acids and derivatives Beta hydroxy acids and derivatives Vinylogous thioesters Pyrans Oxanes Monosaccharides Dicarboxylic acids and derivatives Thiazolines Enals Thioenol ethers Secondary alcohols Ketimines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Carboxylic acids Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
O-glucuronide - 1-o-glucuronide - Alpha-amino acid ester - Alpha-amino acid or derivatives - Thiazolecarboxylic acid or derivatives - Beta-hydroxy acid - Vinylogous thioester - Pyran - Oxane - Monosaccharide - Hydroxy acid - Dicarboxylic acid or derivatives - Meta-thiazoline - Thiazole - Enal - Alpha,beta-unsaturated aldehyde - Thioenolether - Secondary alcohol - Ketimine - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Polyol - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Imine - Carbonyl group - Aldehyde - Alcohol - Aliphatic 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