Compound Identification
SMILES
OC[C@H]1OC(S\C(CCC2=CC=CC=C2)=N\OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=CKIJIGYDFNXSET-CBYPHJQGSA-N
Formula
C15H21NO9S2
Mass
423.45
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 Organic sulfuric acids and derivatives Monothioacetals Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkylglucosinolate - Glycosyl compound - S-glycosyl compound - Monocyclic benzene moiety - Benzenoid - Oxane - Monothioacetal - Organic sulfuric acid or derivatives - 1,2-diol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Primary alcohol - 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