input word = C00047057

Metabolite InformationStructural formula
Name Kirkinine
(+)-Kirkinine
Formula C38H56O10
Mw 672.38734801
CAS RN 300691-92-3
C_ID C00047057 ,
InChIKey MDZJGGUQWHZDTA-AIBGYYRVNA-N
InChICode InChI=1S/C38H56O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-46-32-28-31-34(22-39,45-31)33(42)36(43)27(21-24(4)29(36)41)38(28,48-35)25(5)30(44-26(6)40)37(32,47-35)23(2)3/h19-21,25,27-28,30-33,39,42-43H,2,7-18,22H2,1,3-6H3/b20-19+/t25-,27-,28-,30-,31+,32-,33-,34+,35-,36-,37+,38+/m1/s1
SMILES [C@]12(O[C@@H]3[C@@H]4[C@@]([C@H]5[C@]([C@@H]([C@@]6([C@H]4O6)CO)O)(C(=O)C(=C5)C)O)([C@@H]([C@H]([C@@]3(O1)C(=C)C)OC(=O)C)C)O2)/C=C/CCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeSynaptolepis kirkii Ref.
zoom in