Structure Information
Structure

Compound Identification

SMILES

OC1C(OC2=C(O)C=CC(=C2)C2=C(O)C=C3C(O)=CC(O)=CC3=[O+]2)OC(C(O)C1O)C(O)=O

InChIKey

InChIKey=ORAFILWCJWXTDM-UHFFFAOYSA-O

Formula

C21H19O12

Mass

463.37

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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 - Anthocyanidin-3p-o-glycoside - Anthocyanin - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Oxane - Pyran - Monosaccharide - Hydroxy acid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic oxide - Organic cation - 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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