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CHEBI:75502 - 5-bromo-4-chloro-3-indolyl α-D-glucoside

ChEBI IDCHEBI:75502
ChEBI Name5-bromo-4-chloro-3-indolyl α-D-glucoside
Stars
ASCII Name5-bromo-4-chloro-3-indolyl alpha-D-glucoside
DefinitionAn indolyl carbohydrate that is the α-D-glucoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively.
Last Modified6 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC14H15BrClNO6
Net Charge0
Average Mass408.632
Monoisotopic Mass406.97713
SMILES[H][C@]1(Oc2cnc3ccc(Br)c(Cl)c23)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13-,14+/m1/s1
InChIKeyOPIFSICVWOWJMJ-HRNXZZBMSA-N
ChEBI Ontology
Outgoing Relation(s)
5-bromo-4-chloro-3-indolyl α-D-glucoside (CHEBI:75502) has functional parent indoxyl (CHEBI:17840)
5-bromo-4-chloro-3-indolyl α-D-glucoside (CHEBI:75502) is a D-aldohexose derivative (CHEBI:63387)
5-bromo-4-chloro-3-indolyl α-D-glucoside (CHEBI:75502) is a indolyl carbohydrate (CHEBI:24821)
5-bromo-4-chloro-3-indolyl α-D-glucoside (CHEBI:75502) is a organobromine compound (CHEBI:37141)
5-bromo-4-chloro-3-indolyl α-D-glucoside (CHEBI:75502) is a organochlorine compound (CHEBI:36683)
5-bromo-4-chloro-3-indolyl α-D-glucoside (CHEBI:75502) is a α-D-glucoside (CHEBI:22390)
IUPAC Name 
5-bromo-4-chloro-1H-indol-3-yl α-D-glucopyranoside
Synonym  Source
5-bromo-4-chloroindoxyl α-D-glucosideChEBI