Compound Identification
SMILES
CC(C)CC(=O)O[C@@H]1C[C@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@@]3(O)C(C)C(=O)O[C@H]3\C=C(\COC(C)=O)/C=C/[C@@H]2OC(C)=O)[C@@]11CO1
InChIKey
InChIKey=LQYPQXKGPDRUES-IUXSMPSTSA-N
Formula
C36H50O14
Mass
706.782
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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Subclass
Terpene lactones
- Level 5 Diterpene lactones
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Subclass
Terpene lactones
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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
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Hexacarboxylic acids and derivatives Briarane diterpenoids Fatty acid esters Gamma butyrolactones Tetrahydrofurans Tertiary alcohols Carboxylic acid esters Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Briarane diterpenoid - Hexacarboxylic acid or derivatives - Diterpenoid - Diterpene lactone - Fatty acid ester - Fatty acyl - Gamma butyrolactone - Tetrahydrofuran - Tertiary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
External Descriptors
Not available