Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=C(O)C=C2OC=C(C(=O)C2=C1O)C1=CC(=C(O)C=C1)S([O-])(=O)=O

InChIKey

InChIKey=HTQBVSXOJWIXNI-UHFFFAOYSA-M

Formula

C16H11NaO9S

Mass

402.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Hydroxyisoflavonoid - Chromone - Benzenesulfonate - 1-benzopyran - Benzopyran - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Oxacycle - Organic alkali metal salt - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organic sodium salt - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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