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Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(\C=C\C2=CC(C)=C3N2[B-](F)(F)[N+]2=C(\C=C\C4=CC=C(OC)C=C4)C=C(C)C2=C3C2=CC=C(C=C2)C(=O)O[N+]2=C(O)C(CC2=O)S(O)(=O)=O)C=C1

InChIKey

InChIKey=NDFDQOUWBJQTSH-IAGONARPSA-O

Formula

C40H35BF2N3O9S

Mass

782.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Pyrroline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Lactim - N-acylimine - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Azacycle - Organic metalloid salt - Organonitrogen compound - Organic salt - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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