Compound Identification
SMILES
CSSC1=CC=CC2=C1C(COC(=O)[C@@H]1C[C@@H](O)[C@@H](O)C(O1)[C@H](O)CN)=CC=C2
InChIKey
InChIKey=SAIJXSOJTCLAFJ-DPPMAADESA-N
Formula
C20H25NO6S2
Mass
439.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbohydrates and carbohydrate conjugates
-
Level 5
Sugar acids and derivatives
-
Level 6
Glucuronic acid derivatives
-
Level 7
Glucuronides
- Level 8 C-glucuronides
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Level 7
Glucuronides
-
Level 6
Glucuronic acid derivatives
-
Level 5
Sugar acids and derivatives
-
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
Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
Direct Parent
C-glucuronides
Alternative Parents
C-glycosyl compounds Naphthalenes Pyrans Oxanes 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Secondary alcohols Organic disulfides Monocarboxylic acids and derivatives Dialkyl ethers Sulfenyl compounds Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C-glucuronide - C-glycosyl compound - Glycosyl compound - Naphthalene - Oxane - Pyran - Benzenoid - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Organic disulfide - Secondary alcohol - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organosulfur compound - Organic oxide - Primary aliphatic amine - Amine - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Alcohol - Primary amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.
External Descriptors
Not available