input word = C00028276

Metabolite InformationStructural formula
Name Foresaconitine
Vilmorrianine C
Formula C35H49NO9
Mw 627.34073217
CAS RN 73870-35-6
C_ID C00028276 ,
InChIKey LYUPEIXJYAJCHL-UHFFFAOYNA-N
InChICode InChI=1S/C35H49NO9/c1-8-36-17-33(18-39-3)14-13-25(42-6)35-23-15-22-24(41-5)16-34(45-19(2)37,27(31(35)36)29(43-7)30(33)35)26(23)28(22)44-32(38)20-9-11-21(40-4)12-10-20/h9-12,22-31H,8,13-18H2,1-7H3/t22-,23-,24+,25-,26-,27-,28-,29-,30+,31+,33-,34-,35-/m1/s1
SMILES N1(C[C@@]2([C@H]3[C@]4([C@@H]1[C@@H]([C@H]3OC)[C@@]1([C@@H]3[C@H]4C[C@H]([C@H](C1)OC)[C@H]3OC(=O)c1ccc(cc1)OC)OC(=O)C)[C@@H](CC2)OC)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum bulleyanum Ref.
PlantaeRanunculaceaeAconitum carmichaeli Ref.
PlantaeRanunculaceaeAconitum forrestii Ref.
PlantaeRanunculaceaeAconitum longtounens T.L.Ming. Ref.
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