Compound Identification
SMILES
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C([O-])=O)OC(=O)C1=CC=CC=C1C([O-])=O
InChIKey
InChIKey=INOXKZRJJCCHEM-AONLVFIFSA-L
Formula
C38H48Na2O7
Mass
662.775
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Triterpenoids
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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
Triterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Triterpenoids
Alternative Parents
Benzoic acid esters Tricarboxylic acids and derivatives Benzoic acids Benzoyl derivatives Fatty acid esters Cyclohexenones Enones Enoate esters Acryloyl compounds Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Triterpenoid - Benzoate ester - Tricarboxylic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enone - Acryloyl-group - Ketone - Carboxylic acid salt - Carboxylic acid ester - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors
Not available