Compound Identification
SMILES
C[N+](C)(C)C.OCC1OC(S\C(CC2=CC=C(O)C=C2)=N\OS(O)(=O)=O)C(O)C(O)C1O
InChIKey
InChIKey=WPOFFBDLPBXTRV-GYVLLFFHSA-N
Formula
C18H31N2O10S2
Mass
499.57
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 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Tetraalkylammonium salts Monothioacetals Organic sulfuric acids and derivatives 1,2-diols Secondary alcohols Sulfenyl compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Amines Organic oxides Organic cations
Molecular Framework
Not available
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Oxane - Benzenoid - Monothioacetal - Organic sulfuric acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Secondary alcohol - 1,2-diol - Polyol - Oxacycle - Sulfenyl compound - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - 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