Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H](OC2=CC(=CC(=C2)C(=O)CCCCCC(=O)C2=CC(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]3O)=CC(=C2)C2=CC(CC(O)=O)=CC=C2)C2=CC(CC(O)=O)=CC=C2)[C@@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=JPXXYMGCKZUNNA-HHNLBJAESA-N

Formula

C47H52O18

Mass

904.915

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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 heteromonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Phenolic glycoside - Alkyl-phenylketone - Biphenyl - Glycosyl compound - O-glycosyl compound - Butyrophenone - Phenylketone - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Aryl ketone - Phenol ether - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Ketone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Acetal - Polyol - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Aldehyde - Alcohol - Aromatic heteromonocyclic 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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