input word = C00021427

Metabolite InformationStructural formula
Name 6-Isodaucene 14-isothiocyanate
Formula C16H25NS
Mw 263.17077053
CAS RN 112757-35-4
C_ID C00021427 ,
InChIKey SBJQLCBBAZIITI-MCUZVLRKNA-N
InChICode InChI=1S/C16H25NS/c1-12(2)14-6-8-16(3)7-4-5-13(9-15(14)16)10-17-11-18/h9,12,14-15H,4-8,10H2,1-3H3/t14-,15-,16+/m1/s1
SMILES [C@@]12([C@H](C=C(CCC1)CN=C=S)[C@H](CC2)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella acuta Ref.
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