Compound Identification
SMILES
C\C1=C/C2OC(=O)C(=C)C2CC\C(=C\CC1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=SIOXYUXOHTZOOM-LDLHCLSHSA-N
Formula
C21H28O9
Mass
424.446
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
Terpene glycosides Germacrane sesquiterpenoids Hexoses Dicarboxylic acids and derivatives Oxanes Gamma butyrolactones Enoate esters Oxolanes Secondary alcohols Acetals Polyols Oxacyclic compounds Carbonyl compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Terpene glycoside - Germacrane sesquiterpenoid - Sesquiterpenoid - Hexose monosaccharide - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monosaccharide - Oxane - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Acetal - Primary alcohol - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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