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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H27NO11
Molecular Weight 409.3857
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Linustatin

SMILES

CC(C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C#N

InChI

InChIKey=FERSMFQBWVBKQK-CXTTVELOSA-N
InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Linustatin
Common Name English
2-[(6-O-?-D-Glucopyranosyl-?-D-glucopyranosyl)oxy]-2-methylpropanenitrile
Preferred Name English
Propanenitrile, 2-[(6-O-?-D-glucopyranosyl-?-D-glucopyranosyl)oxy]-2-methyl-
Systematic Name English
Code System Code Type Description
FDA UNII
R6U3BE2AC7
Created by admin on Mon Mar 31 18:53:33 GMT 2025 , Edited by admin on Mon Mar 31 18:53:33 GMT 2025
PRIMARY
EPA CompTox
DTXSID80992959
Created by admin on Mon Mar 31 18:53:33 GMT 2025 , Edited by admin on Mon Mar 31 18:53:33 GMT 2025
PRIMARY
PUBCHEM
119301
Created by admin on Mon Mar 31 18:53:33 GMT 2025 , Edited by admin on Mon Mar 31 18:53:33 GMT 2025
PRIMARY
CAS
72229-40-4
Created by admin on Mon Mar 31 18:53:33 GMT 2025 , Edited by admin on Mon Mar 31 18:53:33 GMT 2025
PRIMARY