Compound Identification
SMILES
OC1C(O)C(OC(C1O)C(O)=O)SC1=CC=CC=C1
InChIKey
InChIKey=XXJOOMMTHULGSD-UHFFFAOYSA-N
Formula
C12H14O6S
Mass
286.3
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 S-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
S-glucuronides
Alternative Parents
Thioglycosides Aryl thioethers Beta hydroxy acids and derivatives Pyrans Benzene and substituted derivatives Oxanes Monosaccharides Monothioacetals Secondary alcohols Sulfenyl compounds Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
S-glucuronide - 1-s-glucuronide - Glycosyl compound - S-glycosyl compound - Aryl thioether - Beta-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Monosaccharide - Oxane - Pyran - Benzenoid - Monothioacetal - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Organic oxide - Organosulfur compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as s-glucuronides. These are carbohydrate derivatives containing glucuronic acid linked to another substance through a S-glycosidic bond.
External Descriptors
Not available