input word = C00057396

Metabolite InformationStructural formula
Name 8-(Methylthio)octyl isothiocyanate
Formula C10H19NS2
Mw 217.09589107
CAS RN 4430-41-5
C_ID C00057396
InChIKey BFBMDZOSZQDEKW-UHFFFAOYSA-N
InChICode InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3
SMILES S=C=NCCCCCCCCSC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
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