Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCC(O)C(O)CCC(O)C1CCC(CC(O)CC(O)CCCC(O)CC2=CC(C)OC2=O)O1

InChIKey

InChIKey=FIANNMWSDAAICQ-UHFFFAOYSA-N

Formula

C35H64O9

Mass

628.888

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Fatty Acyls

Subclass

Fatty alcohols

Intermediate Tree Nodes

Not available

Direct Parent

Annonaceous acetogenins

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Annonaceae acetogenin skeleton - Long chain fatty alcohol - 2-furanone - Dihydrofuran - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - 1,2-diol - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain.

External Descriptors

Not available

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