Compound Identification
SMILES
CCCCCCCCCCCCCCC[C@H](O)CC(=O)OC\C=C(/C)C(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(CO)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
InChIKey
InChIKey=MVHKLUNQRGAKNA-NELLKUIPSA-N
Formula
C38H60O9
Mass
660.889
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
-
Level 5
Sesquiterpene lactones
- Level 6 Germacranolides and derivatives
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Level 5
Sesquiterpene lactones
-
Subclass
Terpene lactones
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Germacrane sesquiterpenoids Long-chain fatty alcohols Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Fatty acid esters Gamma butyrolactones Oxolanes Enoate esters Secondary alcohols Dialkyl ethers Oxacyclic compounds Epoxides Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Long chain fatty alcohol - Fatty alcohol - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Gamma butyrolactone - Fatty acyl - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Organic oxygen compound - Organooxygen compound - 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