Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.C[N+]1=CN(CC2=CC=C(C=C2)C2=CC=C(C[C@@H]([C@H](CC3=CC=CC=C3)C(O)=O)C(O)=O)C=C2)C=C1

InChIKey

InChIKey=XZBHUAXVOKDNLG-WMXJXTQLSA-O

Formula

C31H30F3N2O6

Mass

583.584

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Molecular Framework

Not available

Substituents

Dibenzylbutane lignan skeleton - Biphenyl - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - N-substituted imidazole - Benzenoid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Azole - Alpha-halocarboxylic acid - Imidazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

External Descriptors

Not available

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