Structure Information
Structure

Compound Identification

SMILES

CC(CO)C(=O)O[C@H]1C\C(C)=C\CC\C(CO)=C\[C@H]2OC(=O)C(CN3CCCC3C(O)=O)[C@H]12

InChIKey

InChIKey=MBXSNCXZIGQACI-OASRDNRDSA-N

Formula

C24H35NO8

Mass

465.543

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Sesquiterpene lactones

Direct Parent

Germacranolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Proline or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Beta-hydroxy acid - Gamma butyrolactone - Hydroxy acid - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Lactone - Tertiary aliphatic amine - Azacycle - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

External Descriptors

Not available

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