input word = C00057394

Metabolite InformationStructural formula
Name 7-(Methylthio)heptyl isothiocyanate
Formula C9H17NS2
Mw 203.08024101
CAS RN 4430-38-0
C_ID C00057394
InChIKey LDIRGNDMTOGVRB-UHFFFAOYSA-N
InChICode InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
SMILES S=C=NCCCCCCCSC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
zoom in