Compound Identification
SMILES
COC(=O)C(=C\C1=CC=CC=C1)\N=C(O)C[C@](C)(O)CC(=O)O[C@@H]1[C@H](C[C@]2(C)[C@H](CCC3=C2C[C@H](O)[C@@]2(C)[C@@H](CC[C@]32C)[C@@H]2CC[C@H](O[C@H]2O)C(C)(C)O)C1(C)C)OC(C)=O
InChIKey
InChIKey=IXOHNANPKRRVME-XCDISDGZSA-N
Formula
C48H69NO12
Mass
852.075
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
Steroid esters 12-hydroxysteroids N-acyl-alpha amino acids and derivatives Cinnamic acid esters Tricarboxylic acids and derivatives Fatty acid esters Oxanes Benzene and substituted derivatives Tertiary alcohols Methyl esters Enoate esters Secondary alcohols Hemiacetals Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triterpenoid - Steroid ester - Hydroxysteroid - 12-hydroxysteroid - Steroid - N-acyl-alpha amino acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Benzenoid - Oxane - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic 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