input word = C00021244

Metabolite InformationStructural formula
Name Axisothiocyanate 2
Formula C16H25NS
Mw 263.17077053
CAS RN 56012-90-9
C_ID C00021244 ,
InChIKey ARPIGBFJJLTHFU-ZFMJJPNCNA-N
InChICode InChI=1S/C16H25NS/c1-10-5-6-11-13(10)14-12(15(14,2)3)7-8-16(11,4)17-9-18/h10-14H,5-8H2,1-4H3/t10-,11-,12-,13+,14+,16-/m1/s1
SMILES C1C[C@@H]2[C@H]([C@@H]1C)[C@@H]1[C@@H](CC[C@@]2(C)N=C=S)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cannabina Ref.
PlantaeMelastomataceaeAcanthella cavernosa Ref.
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