Compound Identification
SMILES
C[N+](C)(C)C.OCC1OC(S\C(CC2=CC=CC=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O
InChIKey
InChIKey=DJCUQHARROGHMC-GYVLLFFHSA-N
Formula
C18H31N2O9S2
Mass
483.57
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 Oxanes Benzene and substituted derivatives Tetraalkylammonium salts Organic sulfuric acids and derivatives Monothioacetals Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Not available
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Monocyclic benzene moiety - Oxane - Benzenoid - Monothioacetal - Organic sulfuric acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary alcohol - 1,2-diol - Polyol - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary alcohol - Amine - Organosulfur compound - Organonitrogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic 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