Compound Identification
SMILES
COC(=O)C(O)[C@H]1C(C)(C)[C@H](CC2O[C@]34[C@H](O)C(=O)OC(C5=COC=C5)C3(C)C(CC(C4=C)[C@]12C)OC(C)=O)OC(C)=O
InChIKey
InChIKey=NKHYHRMLCJNKHW-FENVKJGXSA-N
Formula
C31H40O12
Mass
604.649
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
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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
Diterpenoids Tetracarboxylic acids and derivatives Fatty alcohol esters Iridoids and derivatives Fatty acid esters Delta valerolactones Oxanes Monosaccharides Methyl esters Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpenoid - Diterpene lactone - Tetracarboxylic acid or derivatives - Fatty alcohol ester - Secoiridoid-skeleton - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Oxane - Monosaccharide - Heteroaromatic compound - Methyl ester - Furan - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic 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