input word = C00021667

Metabolite InformationStructural formula
Name 7-Isothiocyanato-7,8-dihydro-alpha-bisabolene
Formula C16H25NS
Mw 263.17077053
CAS RN 105281-46-7
C_ID C00021667 ,
InChIKey UDBGTQYSPVXTKN-MNSHXRSINA-N
InChICode InChI=1S/C16H25NS/c1-13(2)6-5-11-16(4,17-12-18)15-9-7-14(3)8-10-15/h6-7,15H,5,8-11H2,1-4H3/t15-,16-/m0/s1
SMILES C1CC(=CC[C@@H]1[C@@](N=C=S)(CCC=C(C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella cavernosa Ref.
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