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 [C@@H]12N(CCO2)C[C@]2([C@@H]3[C@]1(C1=C[C@H]4[C@@]56CC[C@@]7(C[C@]89[C@@H]%10C[C@@H]7C[C@H]9[C@@]79[C@@H]%10N(C[C@](CCC9)([C@H]7CC8)C)C)O[C@H]5[C@]1(CC3)C[C@@H]46)CCC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium staphisagria Ref.
zoom in