input word = C00060626

Metabolite InformationStructural formula
Name 4-Isothiocyanato-1-butanol
Formula C5H9NOS
Mw 131.04048465
CAS RN 195073-93-9
C_ID C00060626
InChIKey ZMBZQTWWHCPKRS-UHFFFAOYSA-N
InChICode InChI=1S/C5H9NOS/c7-4-2-1-3-6-5-8/h7H,1-4H2
SMILES OCCCCN=C=S
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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