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(OS(O)(=O)=O)C=C2O1

InChIKey

InChIKey=ROYNQIRDSFCDQL-UHFFFAOYSA-N

Formula

C16H12O13S2

Mass

476.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

O-methylated flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

3'-O-methylated flavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as 3'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C3' atom of the flavonoid backbone.

External Descriptors

LIPIDMAPS (LMPK12112398) : Flavones and Flavonols

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