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)N1CCNCC1)C([O-])=O
InChIKey
InChIKey=RHUMQFIHXLDQCV-KLGSBLKISA-M
Formula
C24H30CaN2O6
Mass
482.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Sphenolobane diterpenoids Medium-chain fatty acids Delta valerolactones Oxepanes Unsaturated fatty acids Dicarboxylic acids and derivatives Oxanes Piperazines Tertiary carboxylic acid amides Amino acids Carboxylic acid salts Carboxylic acid esters Tertiary amines Organic calcium salts Dialkylamines Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Diterpene lactone - Diterpenoid - Prenyldaucane diterpenoid - Caprolactone - Medium-chain fatty acid - Delta valerolactone - Delta_valerolactone - Oxepane - Fatty acyl - Fatty acid - 1,4-diazinane - Dicarboxylic acid or derivatives - Oxane - Piperazine - Unsaturated fatty acid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Lactone - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Secondary amine - Oxacycle - Azacycle - Organic calcium salt - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Organic oxide - Organic salt - Organic oxygen compound - Amine - Organic nitrogen compound - Organic zwitterion - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alkoxide - 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