Compound Identification
SMILES
CCC(C)C(=O)OC1CC(C)(O)C2C(O)C3OC3(C)C2C2OC(=O)C(=C)C12
InChIKey
InChIKey=UGWSDSBZZKPRAP-UHFFFAOYSA-N
Formula
C20H28O7
Mass
380.437
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 Guaianolides 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
Guaianolides and derivatives
Alternative Parents
Guaianes Fatty acid esters Dicarboxylic acids and derivatives Gamma butyrolactones Oxanes Tertiary alcohols Tetrahydrofurans Enoate esters Cyclic alcohols and derivatives Secondary alcohols Epoxides Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Gamma butyrolactone - Fatty acyl - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Tetrahydrofuran - Lactone - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.
External Descriptors
Not available