Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=C(OS(O)(=O)=O)C(=O)C2=C(O1)C(=C(O)C=C2O)C(C)(C)C=C

InChIKey

InChIKey=YTCVEOBRMAERSY-UHFFFAOYSA-N

Formula

C21H20O9S

Mass

448.44

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

Not available

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