Compound Identification
SMILES
COC1=CC=CC2=C1C(C\C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=N\O)=CN2
InChIKey
InChIKey=CLKAEHXWEOMYHB-KYKLFQSUSA-N
Formula
C17H22N2O7S
Mass
398.43
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 3-alkylindoles Anisoles Alkyl aryl ethers Substituted pyrroles Oxanes Monothioacetals Heteroaromatic compounds 1,2-diols Secondary alcohols Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Desulfoglucosinolate - Glycosyl compound - S-glycosyl compound - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Oxane - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Monothioacetal - Secondary alcohol - 1,2-diol - Sulfenyl compound - Ether - Oxacycle - Azacycle - Polyol - Organoheterocyclic compound - Primary alcohol - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic 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