Compound Identification
SMILES
C\C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@H]1[C@@]2(O)CCC(C)=CC3)C([O-])=O
InChIKey
InChIKey=MQOMHFMKUJFDBH-UNZAVUEUSA-M
Formula
C20H25O5
Mass
345.416
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Terpene lactones
- Level 5 Diterpene 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
Not available
Direct Parent
Diterpene lactones
Alternative Parents
Sphenolobane diterpenoids Iridoids and derivatives Oxepanes Methyl-branched fatty acids Hydroxy fatty acids Heterocyclic fatty acids Fatty acid esters Delta valerolactones Unsaturated fatty acids Oxanes Dicarboxylic acids and derivatives Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Prenyldaucane diterpenoid - Diterpenoid - Diterpene lactone - Secoiridoid-skeleton - Caprolactone - Methyl-branched fatty acid - Oxepane - Delta_valerolactone - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty acid ester - Delta valerolactone - Branched fatty acid - Fatty acyl - Unsaturated fatty acid - Oxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic anion - 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