Compound Identification
SMILES
C[C@@]12C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]3[C@H](OC(=O)C3=C)\C=C(CO)\CC[C@H]1O2
InChIKey
InChIKey=CSXOADPFGUPHSR-HGMVJNCCSA-N
Formula
C20H26O8
Mass
394.42
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
Sesquiterpenoids Beta hydroxy acids and derivatives Fatty acid esters Dicarboxylic acids and derivatives Gamma butyrolactones Enoate esters Oxolanes Secondary alcohols 1,2-diols Epoxides Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Germacranolide - Sesquiterpenoid - Beta-hydroxy acid - Fatty acid ester - Dicarboxylic acid or derivatives - Gamma butyrolactone - Fatty acyl - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Secondary alcohol - Carboxylic acid ester - Lactone - 1,2-diol - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organic oxide - Primary alcohol - Organic oxygen compound - Hydrocarbon derivative - 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