Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC1=CC(CC2=C(O)C(CC3=CC(CCC(O)=O)=CC(CC4=C(O)C=CC(CCC(O)=O)=C4)=C3O)=CC(CCC(O)=O)=C2)=C(O)C=C1

InChIKey

InChIKey=CZZHYUKNOQYVHB-UHFFFAOYSA-N

Formula

C39H40O12

Mass

700.737

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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 homomonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Diphenylmethane - Tetracarboxylic acid or derivatives - 3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic 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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