Structure Information
Structure

Compound Identification

SMILES

OC1=CC(O)=C2C(=O)C(OS(O)(=O)=O)=C(OC2=C1)C1=CC(OS(O)(=O)=O)=C(O)C=C1

InChIKey

InChIKey=CVENNDDRCHLONB-UHFFFAOYSA-N

Formula

C15H10O13S2

Mass

462.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Sulfated flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

3-sulfated flavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-sulfated flavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Chromone - Phenylsulfate - Arylsulfate - Benzopyran - 1-benzopyran - Phenoxy compound - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Pyran - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3-sulfated flavonoids. These are flavonoids that are sulfated at the 3-ring position of the flavonoid skeleton.

External Descriptors

CHEBI:17875 : quercetin bissulfate - trihydroxyflavone
LIPIDMAPS (LMPK12112308) : Flavones and Flavonols
KEGG (C01155) : flavonols - Flavones and Flavonols

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