Compound Identification
SMILES
CC[C@]1(CC[C@@H](O1)[C@]1(C)CC[C@]2(C[C@H](OCC3=CC=C(Cl)C=C3)[C@@H](C)[C@@H](O2)[C@@H](C)[C@@H](OC)[C@H](C)C(O)=O)O1)[C@@H]1O[C@H](C[C@@H]1C)[C@H]1O[C@](O)([C@H](C)C[C@@H]1C)C(O)=O
InChIKey
InChIKey=VCICSCPJLJDHRA-IKTQLQBASA-N
Formula
C43H65ClO12
Mass
809.43
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
Benzylethers Ketals Chlorobenzenes Pyrans Oxanes Alpha hydroxy acids and derivatives Aryl chlorides Dicarboxylic acids and derivatives Oxolanes Hemiacetals Oxacyclic compounds Carboxylic acids Dialkyl ethers Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-glucuronide - Benzylether - Ketal - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Hydroxy acid - Dicarboxylic acid or derivatives - Oxolane - Hemiacetal - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic 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