Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C1C2=CC(C(C3=CC=C(C)C=C3)C3=CC(C(C4=CC=C(C)C=C4)C4=C(O)C(CNCC(O)=O)=C(O)C(=C4)C(C4=CC=C(C)C=C4)C4=C(O)C(CNCC(O)=O)=C(O)C1=C4)=C(O)C(CNCC(O)=O)=C3O)=C(O)C(CNCC(O)=O)=C2O

InChIKey

InChIKey=XWGPKJHMXSKBBB-UHFFFAOYSA-N

Formula

C68H68N4O16

Mass

1197.304

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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 homopolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aralkylamine - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Secondary amine - Polyol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homopolycyclic 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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