input word = C00043256

Metabolite InformationStructural formula
Name Ajacine
Formula C34H48N2O9
Mw 628.33598115
CAS RN 509-17-1
C_ID C00043256 ,
InChIKey NUXFDCYXMLVOFU-RMYCQAGHNA-N
InChICode InChI=1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24+,25-,26+,27?,28+,30-,31-,32-,33-,34+/m1/s1
SMILES [C@H]12N(C[C@@]3([C@@H]4[C@@]2([C@@H]2C[C@@H]5[C@H](C[C@]([C@@]1([C@H]4OC)O)([C@H]2[C@H]5OC)O)OC)[C@H](CC3)OC)COC(=O)c1c(cccc1)NC(=O)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium ajacis L. Ref.
PlantaeRanunculaceaeDelphinium elatum Ref.
PlantaeRanunculaceaeDelphinium majus Ref.
PlantaeRanunculaceaeDelphinium scabriflorum Ref.
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
PlantaeRanunculaceaeDelphinium staphisagra Ref.
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