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Structure Information
Structure

Compound Identification

SMILES

[Na].[Na].[Na].[Na].[Na].[Na].[Na].COC1=CC=C(C=C1)C1=C(OC2=CC(OCC(=C)C[C@@H]3O[C@@H](C)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)=CC(OCC(=C)C[C@@H]3O[C@@H](C)[C@@H](OS(O)(=O)=O)[C@@H](OS(O)(=O)=O)[C@@H]3OS(O)(=O)=O)=C2C1=O)C(O)=O

InChIKey

InChIKey=KLUMHUATLYYVCQ-YBEHXKNRSA-N

Formula

C37H44Na7O33S6

Mass

1370.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

4'-O-methylated isoflavonoids

Direct Parent

4'-O-methylisoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4p-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Pyran - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Organic sulfuric acid or derivatives - Vinylogous ester - Heteroaromatic compound - Oxacycle - Ether - Dialkyl ether - Organic alkali metal salt - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.

External Descriptors

Not available

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