input word = C00020115

Metabolite InformationStructural formula
Name 1-Isothiocyanato-4-muurolene
Formula C16H25NS
Mw 263.17077053
CAS RN 117605-65-9
C_ID C00020115 ,
InChIKey IBYJYYWXLNYMJG-FOTVWQDANA-N
InChICode InChI=1S/C16H25NS/c1-11(2)14-6-5-13(4)16(17-10-18)8-7-12(3)9-15(14)16/h9,11,13-15H,5-8H2,1-4H3/t13-,14+,15+,16+/m1/s1
SMILES C1C[C@H]([C@@]2([C@H]([C@@H]1C(C)C)C=C(CC2)C)N=C=S)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeMelastomataceaeAcanthella pulcherrima Ref.
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OrganismAcanthella pulcherrima
ReferenceCapon,Aust. J. Chem.,41,(1988),979