Compound Identification
SMILES
OC[C@H]1O[C@@H](S\C(=N/O)C2=CC=C(F)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=RENRIALIUSHACD-HSDFSKONSA-N
Formula
C13H16FNO6S
Mass
333.33
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 Fluorobenzenes Oxanes Aryl fluorides Monothioacetals Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Desulfoglucosinolate - S-glycosyl compound - Glycosyl compound - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Monothioacetal - 1,2-diol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Polyol - Hydrocarbon derivative - Primary alcohol - Alcohol - Organic nitrogen compound - Organosulfur compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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