Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(=C1)C1=C(OS(O)(=O)=O)C(=O)C2=C(O)C=C(O)C=C2O1

InChIKey

InChIKey=CZFNXFXZXWDYMZ-UHFFFAOYSA-N

Formula

C16H12O10S

Mass

396.32

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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 - 3p-methoxyflavonoid-skeleton - Hydroxyflavonoid - Flavone - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Chromone - Methoxyphenol - 1-benzopyran - Benzopyran - Arylsulfate - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Pyran - Vinylogous acid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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

LIPIDMAPS (LMPK12112396) : Flavones and Flavonols

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