input word = C00021645

Metabolite InformationStructural formula
Name Acanthisothiocyanate 3
Formula C16H25NS
Mw 263.17077053
CAS RN 112767-00-7
C_ID C00021645 ,
InChIKey NSAVEBLGGOHGSJ-DNCVGMBXNA-N
InChICode InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(9-14)8-7-12(3)15(16)17-10-18/h9,11-13,15H,5-8H2,1-4H3/t12-,13-,15+,16-/m0/s1
SMILES [C@H]1([C@@]2(C=C(CC1)C(C)C)CC[C@@H]([C@H]2N=C=S)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella acuta Ref.
zoom in