input word = C00041815

Metabolite InformationStructural formula
Name Sagittine C
(-)-Sagittine C
Formula C27H42O6
Mw 462.29813907
CAS RN 878157-96-1
C_ID C00041815 ,
InChIKey PTURMPOJGSCRLC-FCXGYUCPNA-N
InChICode InChI=1S/C27H42O6/c1-6-25(3)12-13-27(5)18(14-25)9-10-19-20(27)8-7-11-26(19,4)16-32-24-23(30)22(29)21(33-24)15-31-17(2)28/h6,10,18,20-24,29-30H,1,7-9,11-16H2,2-5H3/t18-,20-,21+,22-,23-,24+,25-,26+,27-/m0/s1
SMILES C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CCC[C@]3(C)CO[C@@H]2O[C@@H](COC(C)=O)[C@H](O)[C@H]2O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlismataceaeSagittaria sagittifolia Ref.
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