Compound Identification
SMILES
CC(O)(CO)C(=O)OC1CC(=C)C2CC(O)C(O)(CCl)C2C2OC(=O)C(=C)C12
InChIKey
InChIKey=MMJRTQVKSDYEAG-UHFFFAOYSA-N
Formula
C19H25ClO8
Mass
416.85
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 Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Enoate esters Secondary alcohols Chlorohydrins Cyclic alcohols and derivatives Oxacyclic compounds Primary alcohols Carbonyl compounds Alkyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Hydroxy acid - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Chlorohydrin - Secondary alcohol - Halohydrin - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Primary alcohol - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - 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