Compound Identification
SMILES
CC(=O)OCC(=CCO)C(=O)O[C@@H]1CC(C)=CC[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
InChIKey
InChIKey=ZMTCJFSEHCLXKW-DXBBTUNJSA-N
Formula
C24H30O9
Mass
462.495
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
-
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 Tetracarboxylic acids and derivatives Fatty alcohol esters Fatty acid esters Gamma butyrolactones Tetrahydrofurans Enoate esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Farsesane sesquiterpenoid - Sesquiterpenoid - Germacrane sesquiterpenoid - Tetracarboxylic acid or derivatives - Fatty alcohol ester - Fatty acid ester - Fatty acyl - Gamma butyrolactone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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