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CHEBI:74542 - trichloroethyl β-D-glucoside

ChEBI IDCHEBI:74542
ChEBI Nametrichloroethyl β-D-glucoside
Stars
ASCII Nametrichloroethyl beta-D-glucoside
DefinitionA β-D-glucoside in which the anomeric substituent is specified as 2,2,2-trichloroethyl.
Last Modified30 September 2013
Submittermwilliams
DownloadsMolfile
FormulaC8H13Cl3O6
Net Charge0
Average Mass311.545
Monoisotopic Mass309.97777
SMILESOC[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H13Cl3O6/c9-8(10,11)2-16-7-6(15)5(14)4(13)3(1-12)17-7/h3-7,12-15H,1-2H2/t3-,4-,5+,6-,7-/m1/s1
InChIKeyJMIZQJXRDKPSKP-XUUWZHRGSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
trichloroethyl β-D-glucoside (CHEBI:74542) has role metabolite (CHEBI:25212)
trichloroethyl β-D-glucoside (CHEBI:74542) is a organochlorine compound (CHEBI:36683)
trichloroethyl β-D-glucoside (CHEBI:74542) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
2,2,2-trichloroethyl β-D-glucopyranoside
Synonym  Source
2,2,2-trichloroethyl β-D-glucosideChEBI
Manual XrefsDatabases
CPD-9676MetaCyc
Registry NumbersSources
Reaxys:11756Reaxys