Compound Identification
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]12C)OC(=O)C1=CC=C(OC)C=C1)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=BXXSWLQPFHZERA-GPYFGYTKSA-N
Formula
C45H68O17
Mass
881.022
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Bile acids, alcohols and derivatives
Alternative Parents
Fatty acyl glycosides of mono- and disaccharides Hexoses P-methoxybenzoic acids and derivatives O-glycosyl compounds Benzoic acid esters Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Fatty acid methyl esters Oxanes Dicarboxylic acids and derivatives Methyl esters Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Hexose monosaccharide - O-glycosyl compound - P-methoxybenzoic acid or derivatives - Glycosyl compound - Benzoate ester - Benzoic acid or derivatives - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Benzoyl - Fatty acid ester - Fatty acid methyl ester - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Monosaccharide - Oxane - Methyl ester - Carboxylic acid ester - Secondary alcohol - Acetal - Ether - Polyol - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available