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CHEBI:6951 - miserotoxin

ChEBI IDCHEBI:6951
ChEBI Namemiserotoxin
Stars
DefinitionA β-D-glucoside having 3-nitropropyl as the anomeric alkyl group.
Last Modified28 July 2014
DownloadsMolfile
FormulaC9H17NO8
Net Charge0
Average Mass267.234
Monoisotopic Mass267.09542
SMILESO=[N+]([O-])CCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C9H17NO8/c11-4-5-6(12)7(13)8(14)9(18-5)17-3-1-2-10(15)16/h5-9,11-14H,1-4H2/t5-,6-,7+,8-,9-/m1/s1
InChIKeyJDJSHLXEHWCLEP-SYHAXYEDSA-N
Roles Classification
Biological Role:
phytotoxin  Any toxin produced by a plant.
ChEBI Ontology
Outgoing Relation(s)
miserotoxin (CHEBI:6951) has functional parent β-D-glucose (CHEBI:15903)
miserotoxin (CHEBI:6951) has role phytotoxin (CHEBI:38231)
miserotoxin (CHEBI:6951) is a C-nitro compound (CHEBI:35716)
miserotoxin (CHEBI:6951) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3-nitropropyl β-D-glucopyranoside
Synonyms  Source
MiserotoxinKEGG COMPOUND
3-nitro-1-propyl-β-D-glucosideChemIDplus
3-nitropropyl-β-D-glucopyranosideChemIDplus
Manual XrefsDatabases
C08507KEGG COMPOUND
C00001547KNApSAcK
Registry NumbersSources
Reaxys:1348639Reaxys
CAS:24502-76-9KEGG COMPOUND
CAS:24502-76-9ChemIDplus
Citations