Compound Identification
SMILES
O=C(OCC1=CC=CC=C1)[C@H]1O[C@H](O[C@H]2[C@H](OCC3=CC=CC=C3)[C@@H](COCC3=CC=CC=C3)O[C@@H](OCC3=CC=CC=C3)[C@@H]2OCC2=CC=CC=C2)[C@H](OCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@@H]1OCC1=CC=CC=C1
InChIKey
InChIKey=XUTRXYMECUMMLI-FQDOMVOCSA-N
Formula
C68H68O12
Mass
1077.28
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
O-glycosyl compounds Disaccharides Benzyloxycarbonyls Benzylethers Pyrans Oxanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-o-glucuronide - O-glucuronide - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzyloxycarbonyl - Benzylether - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Carboxylic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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