Compound Identification
SMILES
CCC(C)C(=O)OC1CC(=O)C2(C)CC3C(CC(C)C12)OC(=O)C3(O)CO
InChIKey
InChIKey=SMAJXKLVHWNBRU-UHFFFAOYSA-N
Formula
C20H30O7
Mass
382.453
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Sesquiterpene lactones
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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
Ambrosanolides and secoambrosanolides
Alternative Parents
Pseudoguaianes Fatty acid esters Gamma butyrolactones Dicarboxylic acids and derivatives Tertiary alcohols Oxolanes Ketones Carboxylic acid esters 1,2-diols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Ambrosanolide - Sesquiterpenoid - Pseudoguaiane sesquiterpenoid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Gamma butyrolactone - Tertiary alcohol - Oxolane - 1,2-diol - Carboxylic acid ester - Ketone - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Primary alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ambrosanolides and secoambrosanolides. These are sesquiterpene lactones from the Ambrosia family, with a backbone derivative of azuleno[6,5-b]furan-2-one (ambrosanolides) or azuleno[4,5-b]furan-2-one (secoambrosanolides).
External Descriptors
Not available