Compound Identification
SMILES
CC(C)(OC1=CC=C(Cl)C=C1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
InChIKey
InChIKey=LCJVUUVMVSSIGZ-UHFFFAOYSA-N
Formula
C16H19ClO9
Mass
390.77
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 Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Beta hydroxy acids and derivatives Chlorobenzenes Pyrans Aryl chlorides Oxanes Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Carboxylic acids Acetals Oxacyclic compounds Polyols Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Hexose monosaccharide - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Hydroxy acid - Monosaccharide - Pyran - Oxane - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Acetal - Polyol - Alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - 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