Compound Identification
SMILES
OCC1OC(OC2C(Oc3cc4c(cc(OC5OC(C[O]=C(O)C=Cc6ccc(O)c(O)c6)C(O)C(O)C5O)cc4=O)oc3-c3ccc(O)c(OC4OC(C(O)C(O)C4O)C(O)=O)c3)OC(COC(=O)CC(=O)OC(=O)C(O)C(O)C(O)=O)C(O)C2O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C1O
InChIKey
InChIKey=NEEXWSZGVKLULW-UHFFFAOYSA-N
Formula
C64H67O41
Mass
1492.199
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
-
Level 5
Flavonoid O-glycosides
- Level 6 Flavonoid O-glucuronides
-
Level 5
Flavonoid O-glycosides
-
Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides
Direct Parent
Flavonoid O-glucuronides
Alternative Parents
Flavonoid-3-O-glycosides Flavonoid-7-O-glycosides Monohydroxyflavonoids 4'-hydroxyflavonoids Phenolic glycosides O-glucuronides Coumaric acids and derivatives Hydroxycinnamic acids Cinnamic acids Cinnamic acid esters Disaccharides O-glycosyl compounds 1-benzopyrans Styrenes Catechols Phenol ethers Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Beta hydroxy acids and derivatives 1,3-dicarbonyl compounds Pyrans Alpha hydroxy acids and derivatives Oxanes Vinylogous esters Carboxylic acid anhydrides Heteroaromatic compounds Enoate esters Secondary alcohols Oxacyclic compounds Carboxylic acids Carboximidic acids Polyols Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid-3p-o-glucuronide - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 4'-hydroxyflavonoid - Hydroxyflavonoid - Monohydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Cinnamic acid - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Styrene - Catechol - Phenol ether - Phenoxy compound - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - 1,3-dicarbonyl compound - Pyran - Oxane - Monocyclic benzene moiety - Alpha-hydroxy acid - Hydroxy acid - Fatty acyl - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid anhydride - Enoate ester - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Polyol - Acetal - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Carboximidic acid - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavonoid o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid.
External Descriptors
Not available