input word = C00021647

Metabolite InformationStructural formula
Name Axisothiocyanate 3
Formula C16H25NS
Mw 263.17077053
CAS RN 59633-81-7
C_ID C00021647 ,
InChIKey QEUKPIZJCSOXDW-ZGUMRWSZNA-N
InChICode InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(15(14)17-10-18)8-7-12(3)9-16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15-,16-/m1/s1
SMILES [C@@H]1([C@@]2([C@@H]([C@@H](CC1)C(C)C)N=C=S)CCC(=C2)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cannabina Ref.
PlantaeMelastomataceaeAcanthella cavernosa Ref.
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