Compound Identification
SMILES
[H][C@]12C(=O)C[C@@]3(C)C4=CC[C@@]5([H])C(C)(C)[C@]([H])(CC[C@]5(C)[C@@]4([H])CC[C@]13C(=O)O[C@@]2(C)CCC=C(C)C)O[C@]1([H])OC[C@@]([H])(OS([O-])(=O)=O)[C@]([H])(O)[C@@]1([H])O[C@]1([H])O[C@]([H])(C)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(OC)[C@@]3([H])O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O[C@]1([H])OC[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChIKey
InChIKey=XVHKKALGZZJNPJ-IBYKXQJFSA-M
Formula
C59H91O29S
Mass
1296.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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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
Steroidal glycosides Oligosaccharides 16-oxosteroids O-glycosyl compounds Alkyl sulfates Gamma butyrolactones Sulfuric acid monoesters Oxanes Tetrahydrofurans Secondary alcohols Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Dialkyl ethers Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives Primary alcohols Organic anions
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroidal glycoside - Oligosaccharide - 16-oxosteroid - Oxosteroid - Steroid - Glycosyl compound - O-glycosyl compound - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Alkyl sulfate - Gamma butyrolactone - Oxane - Tetrahydrofuran - Organic sulfuric acid or derivatives - Ketone - Lactone - Secondary alcohol - Carboxylic acid ester - Dialkyl ether - Carboxylic acid derivative - Ether - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Acetal - Primary alcohol - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic anion - Aliphatic heteropolycyclic 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