Compound Identification
SMILES
[Ca++].C\C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@@]2([O-])CCC(=CC3)C([O-])=O)C(=O)OCC1=CC=CO1
InChIKey
InChIKey=KYLOFFPFTDTOSF-SZKGWXGASA-M
Formula
C25H26CaO8
Mass
494.553
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 Tricarboxylic acids and derivatives Oxepanes Delta valerolactones Fatty acid esters Oxanes Enoate esters Furans Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Carboxylic acids Organic calcium salts Organic zwitterions Carbonyl compounds Organic oxides Alkoxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Prenyldaucane diterpenoid - Tricarboxylic acid or derivatives - Caprolactone - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Oxepane - Fatty acyl - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Heteroaromatic compound - Furan - Carboxylic acid ester - Carboxylic acid salt - Lactone - Organoheterocyclic compound - Organic calcium salt - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Carbonyl group - Alkoxide - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic salt - Organooxygen compound - Hydrocarbon derivative - 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