Compound Identification
SMILES
COC1=CC(OC)=C(\C(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=N\O)C(OC)=C1
InChIKey
InChIKey=BQQSVPWBXSZHCF-LPDJURABSA-N
Formula
C16H23NO9S
Mass
405.42
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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxanes Monothioacetals Secondary alcohols 1,2-diols Sulfenyl compounds Oxacyclic compounds Primary alcohols Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Desulfoglucosinolate - Glycosyl compound - S-glycosyl compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Oxane - Monothioacetal - 1,2-diol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Polyol - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Primary alcohol - Organonitrogen compound - Organosulfur 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