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CHEBI:218739 - Spencertoxin

Default Structure
ChEBI IDCHEBI:218739
ChEBI NameSpencertoxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16N2O2
Net Charge0
Average Mass244.294
Monoisotopic Mass244.12118
SMILESOCC(c1cccnc1)C(CO)c1cccnc1
InChIInChI=1S/C14H16N2O2/c17-9-13(11-3-1-5-15-7-11)14(10-18)12-4-2-6-16-8-12/h1-8,13-14,17-18H,9-10H2
InChIKeyVZKAWJLRKZNYPY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dothiorella viticola (ncbitaxon:323561) - DOI (10.1016/j.arabjc.2018.01.014)
ChEBI Ontology
Outgoing Relation(s)
Spencertoxin (CHEBI:218739) is a pyridines (CHEBI:26421)
IUPAC Name 
2,3-dipyridin-3-ylbutane-1,4-diol