Compound Identification
SMILES
NC1=CC=C(C=C1)C(\S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N/O
InChIKey
InChIKey=GRUCJBOXUHXPEA-HHXBAHLXSA-N
Formula
C13H18N2O6S
Mass
330.36
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 Desulfoglucosinolates
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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
Direct Parent
Desulfoglucosinolates
Alternative Parents
Thioglycosides Aniline and substituted anilines Oxanes Monothioacetals Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Desulfoglucosinolate - Glycosyl compound - S-glycosyl compound - Aniline or substituted anilines - Monocyclic benzene moiety - Oxane - Benzenoid - Monothioacetal - Secondary alcohol - 1,2-diol - Sulfenyl compound - Polyol - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Primary amine - Primary alcohol - Alcohol - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as desulfoglucosinolates. These are derivatives of glucosinolates which arise by removal of the sulfonate moiety.
External Descriptors
Not available