input word = C00057265

Metabolite InformationStructural formula
Name 2-Phenylethyl isothiocyanate
Formula C9H9NS
Mw 163.04557002
CAS RN 2257-09-2
C_ID C00057265
InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N
InChICode InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
SMILES S=C=NCCC1=CC=CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica spp. Ref.
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