input word = C00057164

Metabolite InformationStructural formula
Name 4-Pentenyl isothiocyanate
Formula C6H9NS
Mw 127.04557002
CAS RN 18060-79-2
C_ID C00057164
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 juncea Ref.
PlantaeCruciferaeBrassica napus Ref.
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OrganismBrassica juncea
ReferenceKjaer, A. et al., Acta Chem. Scand., 1956, 10, 1365

1963, 17, 2143 (isol, synth, ms)