Compound Identification
SMILES
[Na+].CN1N=NN=C1C(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)=C(C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
InChIKey
InChIKey=RBFPKFHADDYJFM-VRHXWEEISA-M
Formula
C25H27N4NaO4
Mass
470.505
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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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
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Diphenylmethanes Medium-chain hydroxy acids and derivatives Medium-chain fatty acids Toluenes Beta hydroxy acids and derivatives Hydroxy fatty acids Unsaturated fatty acids Tetrazoles Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Organic sodium salts Organic zwitterions Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Sesquiterpenoid - Bisabolane sesquiterpenoid - Diphenylmethane - Medium-chain hydroxy acid - Medium-chain fatty acid - Hydroxy fatty acid - Beta-hydroxy acid - Toluene - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Hydroxy acid - Benzenoid - Unsaturated fatty acid - Azole - Heteroaromatic compound - Tetrazole - Secondary alcohol - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic alkali metal salt - Monocarboxylic acid or derivatives - Azacycle - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organic zwitterion - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available