Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC=CC(=C2)C2=NC(OCCC(O)=O)=CS2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=NNVSUEROBLDREQ-AJZPPWIDSA-N
Formula
C18H21NO9S
Mass
427.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Glycosyl compounds
- Level 6 Phenolic glycosides
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Level 5
Glycosyl compounds
-
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
Glycosyl compounds
Direct Parent
Phenolic glycosides
Alternative Parents
Hexoses O-glycosyl compounds Phenoxy compounds Phenol ethers 2,4-disubstituted thiazoles Alkyl aryl ethers Oxanes Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Polyols Carboxylic acids Azacyclic compounds Acetals Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Azole - Heteroaromatic compound - Thiazole - Secondary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Polyol - Alcohol - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Primary alcohol - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
External Descriptors
Not available