Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC2=CC(OS(O)(=O)=O)=C(O)C(O)=C2C1=O)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=QOBBVPZWFXTPBO-UHFFFAOYSA-N

Formula

C16H12O11S

Mass

412.32

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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

3-methoxyflavonoid-skeleton - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 6-hydroxyflavonoid - Flavone - Hydroxyflavonoid - 3-methoxychromone - Chromone - Arylsulfate - Benzopyran - 1-benzopyran - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Pyranone - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Benzenoid - Pyran - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Vinylogous acid - Heteroaromatic compound - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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 (LMPK12113027) : Flavones and Flavonols

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