Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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