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CHEBI:169721 - 2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers)

ChEBI IDCHEBI:169721
ChEBI Name2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10N2OS
Net Charge0
Average Mass206.270
Monoisotopic Mass206.05138
SMILESCc1nccnc1SCc1ccco1
InChIInChI=1S/C10H10N2OS/c1-8-10(12-5-4-11-8)14-7-9-3-2-6-13-9/h2-6H,7H2,1H3
InChIKeyPFRSWMCUERVSAT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Methyl-3 or 5 or 6-(furfurylthio)pyrazine (mixture of isomers) (CHEBI:169721) is a aryl sulfide (CHEBI:35683)
IUPAC Name 
2-(uran-2-ylmethylsulanyl)-3-methylpyrazine
Manual XrefsDatabases
91252ChemSpider
HMDB0032414HMDB
Registry NumbersSources
CAS:59035-98-2ChemIDplus