Compound Identification
SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](OC(C)=O)[C@H]2[C@](C)(O)[C@H](O)C=C[C@]2(C)[C@H]1OC(C)=O
InChIKey
InChIKey=NMFRJERNUSBMLR-BOVHOEAXSA-N
Formula
C28H36O13
Mass
580.583
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
Briarane diterpenoids Pentacarboxylic acids and derivatives Gamma butyrolactones 1,4-dioxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Epoxides Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Briarane diterpenoid - Pentacarboxylic acid or derivatives - Para-dioxane - Gamma butyrolactone - Tertiary alcohol - Tetrahydrofuran - Secondary alcohol - 1,2-diol - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Carboxylic acid derivative - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organooxygen compound - 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