input word = C00052675

Metabolite InformationStructural formula
Name 1-Butene-4-isothiocyanate
3-Butenyl isothiocyanate
Formula C5H7NS
Mw 113.02991996
CAS RN 3386-97-8
C_ID C00052675
InChIKey DBISBKDNOKIADM-UHFFFAOYSA-N
InChICode InChI=1S/C6H9NS/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
SMILES C=CCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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