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CHEBI:63670 - DIBOA β-D-glucoside

Default Structure
ChEBI IDCHEBI:63670
ChEBI NameDIBOA β-D-glucoside
Stars
ASCII NameDIBOA beta-D-glucoside
DefinitionA β-D-glucoside having (R)-2,4-dihydroxy-2H-1,4-benzoxazin-3(4H)-one as the anomeric substituent.
Last Modified26 January 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H17NO9
Net Charge0
Average Mass343.288
Monoisotopic Mass343.09033
SMILESO=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1O
InChIInChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2/t8-,9-,10+,11-,13+,14-/m1/s1
InChIKeyOUSLYTBGQGKTME-TWTZXXGESA-N
ChEBI Ontology
Outgoing Relation(s)
DIBOA β-D-glucoside (CHEBI:63670) has functional parent DIBOA (CHEBI:63558)
DIBOA β-D-glucoside (CHEBI:63670) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(2R)-4-hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl β-D-glucopyranoside
Synonym  Source
(R)-DIBOA β-D-glucosideChEBI
UniProt Name  Source
DIBOA β-D-glucosideUniProt
Registry NumbersSources
Reaxys:6665391Reaxys
Citations