Compound Identification
SMILES
OC[C@H]1O[C@@H](S\C(CC(OC(=O)CC2C(=O)NC3=CC=CC=C23)C=C)=N/OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NTDBYDWMVLRHLG-VZNBBYLBSA-N
Formula
C21H26N2O12S2
Mass
562.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Monosaccharides
-
Level 6
Hexoses
-
Level 7
Glucosinolates
- Level 8 Alkylglucosinolates
-
Level 7
Glucosinolates
-
Level 6
Hexoses
-
Level 5
Monosaccharides
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Monosaccharides - Hexoses - Glucosinolates
Direct Parent
Alkylglucosinolates
Alternative Parents
Thioglycosides Indolines Oxanes Benzenoids Organic sulfuric acids and derivatives Monothioacetals Secondary carboxylic acid amides Secondary alcohols 1,2-diols Lactams Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Indole or derivatives - Dihydroindole - Benzenoid - Oxane - Monothioacetal - Organic sulfuric acid or derivatives - 1,2-diol - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Polyol - Alcohol - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.
External Descriptors
Not available