Compound Identification
SMILES
CC(=CC=C[C@@]1(C)OC(=O)[C@@]23CC[C@H]1[C@@]2(O)CCC(=CC3)C([O-])=O)C([O-])=O
InChIKey
InChIKey=QPFFEVMIQIJTGZ-DMSXTEQDSA-L
Formula
C20H22O7
Mass
374.39
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 Tricarboxylic acids and derivatives Oxepanes Fatty acid esters Delta valerolactones Oxanes 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 - Tricarboxylic acid or derivatives - Caprolactone - Oxepane - Delta_valerolactone - Fatty acid ester - Delta valerolactone - Fatty acyl - Oxane - 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