input word = C00026037

Metabolite InformationStructural formula
Name Staphinine
Formula C42H56N2O2
Mw 620.43417905
CAS RN 59588-19-1
C_ID C00026037 ,
InChIKey DDISQQBEKWVCTN-UHFFFAOYNA-N
InChICode InChI=1S/C42H56N2O2/c1-36-8-5-9-42-30(36)7-11-39-20-40(28(16-31(39)42)33(45-4)32(39)34(42)43-21-36)12-13-41-27-15-26-24-14-23-17-37(2,22-44(3)19-23)25(24)6-10-38(26,18-29(27)41)35(41)46-40/h15,21,23,27-35H,5-14,16-20,22H2,1-4H3/t23-,27-,28+,29+,30+,31+,32+,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-/m0/s1
SMILES [C@@H]12[C@H]([C@H]3[C@]4([C@@H](C2)[C@]25CCC[C@@](C=N[C@H]35)([C@H]2CC4)C)C[C@@]21CC[C@@]13[C@H]4C=C5C6=C([C@]7(CN(C[C@@H](C6)C7)C)C)CC[C@]5([C@H]1O2)C[C@@H]34)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium staphisagria Ref.
zoom in