CHEBI:45823 - 2-(β-D-glucosyl)benzothiazole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-(β-D-glucosyl)benzothiazole
ChEBI ID CHEBI:45823
ChEBI ASCII Name 2-(beta-D-glucosyl)benzothiazole
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H15NO5S
Net Charge 0
Average Mass 297.32794
Monoisotopic Mass 297.06709
InChI InChI=1S/C13H15NO5S/c15-5-7-9(16)10(17)11(18)12(19-7)13-14-6-3-1-2-4-8(6)20-13/h1-4,7,9-12,15-18H,5H2/t7-,9-,10+,11-,12-/m1/s1
InChIKey VXYWGTFRKRQDQI-DVYMNCLGSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2s1
ChEBI Ontology
Outgoing 2-(β-D-glucosyl)benzothiazole (CHEBI:45823) is a C-glycosyl compound (CHEBI:20857)
2-(β-D-glucosyl)benzothiazole (CHEBI:45823) is a benzothiazoles (CHEBI:37947)
IUPAC Name
(1R)-1,5-anhydro-1-(1,3-benzothiazol-2-yl)-D-glucitol
Last Modified
16 May 2008