Compound Identification
SMILES
C[C@H]1[C@@H]2CCC(=C)[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=C)[C@@H]3[C@H]2OC1=O
InChIKey
InChIKey=LBJIOPYQHNZVLF-FKWIIEMVSA-N
Formula
C21H30O8
Mass
410.463
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
Terpene glycosides Guaianes Hexoses O-glycosyl compounds Oxanes Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Polyols Organic oxides Hydrocarbon derivatives Primary alcohols Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Guaianolide-skeleton - Terpene glycoside - Guaiane sesquiterpenoid - Sesquiterpenoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Monosaccharide - Gamma butyrolactone - Oxolane - Secondary alcohol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Carbonyl group - 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