Compound Identification
SMILES
CCOC(=O)[C@@]1(O)[C@H](O)[C@@H](O)[C@@]2(CCC[C@@H](OCC3=CC=CC=C3)[C@H](C)CC3=CC=CC=C3)O[C@H](C(=O)OC)[C@@]1(O2)C(=O)OC
InChIKey
InChIKey=FUECFVOOTBASBF-MXGAHWKDSA-N
Formula
C33H42O12
Mass
630.687
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
Tricarboxylic acids and derivatives Phenylpropanes Benzylethers Oxepanes Beta hydroxy acids and derivatives Ketals Pyrans Oxanes Monosaccharides Tertiary alcohols 1,3-dioxolanes Methyl esters Secondary alcohols Polyols Oxacyclic compounds Dialkyl ethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-glucuronide - Benzylether - Phenylpropane - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Ketal - Oxepane - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Monosaccharide - Oxane - Pyran - Methyl ester - Tertiary alcohol - Meta-dioxolane - Secondary alcohol - Carboxylic acid ester - Oxacycle - Polyol - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - 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