input word = C00046561

Metabolite InformationStructural formula
Name 14-Deacetylajadine
Formula C33H46N2O9
Mw 614.32033108
CAS RN 63596-61-2
C_ID C00046561 ,
InChIKey GVZZOVYQNAEUTQ-DDGNCRRLNA-N
InChICode InChI=1S/C33H46N2O9/c1-6-35-15-30(16-44-28(38)18-9-7-8-10-21(18)34-17(2)36)12-11-23(42-4)32-20-13-19-22(41-3)14-31(39,24(20)25(19)37)33(40,29(32)35)27(43-5)26(30)32/h7-10,19-20,22-27,29,37,39-40H,6,11-16H2,1-5H3,(H,34,36)/t19-,20-,22+,23+,24-,25+,26?,27+,29-,30?,31-,32-,33-/m1/s1
SMILES [C@@H]12C[C@H]3[C@]45[C@@H]6[C@@]([C@]([C@H]3[C@H]2O)(C[C@@H]1OC)O)([C@H]([C@@H]4[C@@](CC[C@@H]5OC)(CN6CC)COC(=O)c1ccccc1NC(=O)C)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
zoom in