Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC4=C(OC5=CC(O)=C(OC)C(O)=C5C4=O)C4=CC(OC)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1

InChIKey

InChIKey=JPWBILVSQWPLAW-CRHVGVCVSA-N

Formula

C39H42O21

Mass

846.744

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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-3-O-glycosides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavonoid-3-o-glycoside - 3p-methoxyflavonoid-skeleton - 6-methoxyflavonoid-skeleton - Flavone - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - 7-hydroxyflavonoid - Coumaric acid or derivatives - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - Chromone - O-glycosyl compound - Methoxyphenol - 1-benzopyran - Benzopyran - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Phenol - Fatty acid ester - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Oxane - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous acid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Ether - Organic oxide - Carbonyl group - Organooxygen compound - Primary alcohol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

External Descriptors

Not available

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