Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(O[C@@H]2OC(C)[C@H](OC(C)=O)C(O[C@@H]3OC(COC(C)=O)[C@@H](O)[C@H](O)C3OC(C)=O)[C@@H]2O)C(=O)C2=C(O1)C(CC=C(C)C)=C(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)C=C2O

InChIKey

InChIKey=AHIXHBMUHIBLGS-XBIRLUIQSA-N

Formula

C45H56O23

Mass

964.92

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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-7-O-glycosides

Alternative Parents

8-prenylated flavones Flavonoid-3-O-glycosides 4'-O-methylated flavonoids 5-hydroxyflavonoids Phenolic glycosides Chromones Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyranones and derivatives Oxanes Heteroaromatic compounds Vinylogous acids Secondary alcohols Carboxylic acid esters Polyols Acetals Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

8-prenylated flavone - Flavonoid-3-o-glycoside - Flavonoid-7-o-glycoside - 4p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 5-hydroxyflavonoid - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Disaccharide - Chromone - 1-benzopyran - Benzopyran - Tricarboxylic acid or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Oxane - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Primary alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

External Descriptors

LIPIDMAPS (LMPK12112028) : Flavones and Flavonols

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