input word = C00001639

Metabolite InformationStructural formula
Name Falaconitine
Formula C34H47NO10
Mw 629.31999673
CAS RN 62926-57-2
C_ID C00001639 ,
InChIKey AWCSAXLOUNZFKK-BJCRWYRXNA-N
InChICode InChI=1S/C34H47NO10/c1-8-35-15-32(16-39-2)22(36)13-24(43-6)34-19-14-33(38)23(42-5)12-18(26(29(34)35)27(44-7)28(32)34)25(19)30(33)45-31(37)17-9-10-20(40-3)21(11-17)41-4/h9-12,19,22-30,36,38H,8,13-16H2,1-7H3/t19-,22-,23+,24+,25-,26+,27-,28-,29-,30-,32+,33?,34+/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](C[C@H]1O)OC)[C@H]1[C@H]5C(=C[C@@H]([C@@]([C@@H]5OC(=O)c5ccc(c(c5)OC)OC)(C1)O)OC)[C@@H]([C@H]3OC)[C@H]4N(C2)CC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum falconeri Ref.
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OrganismAconitum falconeri
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter19