input word = C00046606

Metabolite InformationStructural formula
Name Ajadine
Formula C35H48N2O10
Mw 656.33089577
CAS RN 58480-81-2
C_ID C00046606 ,
InChIKey QFEWDYKEKVVRHZ-USLZSOIBNA-N
InChICode InChI=1S/C35H48N2O10/c1-7-37-16-32(17-46-30(40)20-10-8-9-11-23(20)36-18(2)38)13-12-25(44-5)34-22-14-21-24(43-4)15-33(41,26(22)27(21)47-19(3)39)35(42,31(34)37)29(45-6)28(32)34/h8-11,21-22,24-29,31,41-42H,7,12-17H2,1-6H3,(H,36,38)/t21?,22-,24+,25+,26-,27+,28-,29+,31+,32+,33-,34+,35-/m1/s1
SMILES C(N1C[C@@]2(CC[C@@H]([C@]34[C@H]1[C@@]([C@@]1([C@@H]5[C@H]4C[C@H]([C@H](C1)OC)[C@@H]5OC(=O)C)O)([C@H]([C@H]23)OC)O)OC)COC(=O)c1c(NC(=O)C)cccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium ajacis L. Ref.
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
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