input word = C00025017

Metabolite InformationStructural formula
Name Staphisagrine
Formula C43H60N2O2
Mw 636.46547917
CAS RN 1415-71-0
C_ID C00025017 ,
InChIKey DILURHPOBCZYFC-RXSBSKPJNA-N
InChICode InChI=1S/C43H60N2O2/c1-36-8-4-10-42-29(36)7-13-39-22-40(25(19-31(39)42)18-27(39)33(42)44(3)23-36)14-15-41-26-20-32-38(21-28(26)41,34(41)47-40)12-6-30-37(2)9-5-11-43(30,32)35-45(24-37)16-17-46-35/h20,25-31,33-35H,4-19,21-24H2,1-3H3/t25?,26-,27-,28+,29-,30-,31-,33-,34+,35+,36+,37+,38-,39?,40+,41-,42+,43+/m1/s1
SMILES CN1C[C@]2(C)CCC[C@@]34C1C1C[C@H]5C[C@@H]3[C@]1(CC[C@H]24)C[C@@]51CCC23C4C=C5[C@@](CC[C@@H]6[C@@]7(C)CCC[C@@]56[C@@H]5OCCN5C7)(C[C@@H]42)[C@@H]3O1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium staphisagria Ref.
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