input word = C00046740

Metabolite InformationStructural formula
Name Faleoconitine
Formula C35H47NO13
Mw 689.3047406
CAS RN 307495-69-8
C_ID C00046740 ,
InChIKey RIFDYFATSFADDY-UHFFFAOYNA-N
InChICode InChI=1S/C35H47NO13/c1-17(38)49-34-13-24(46-6)33(41)12-19(25(34)30(33)48-31(40)18-8-9-20(43-3)21(10-18)44-4)35-23(45-5)11-22(39)32(15-42-2)14-36(16-37)29(35)26(34)27(47-7)28(32)35/h8-10,16,19,22-30,39,41H,11-15H2,1-7H3/t19-,22+,23-,24+,25-,26-,27-,28+,29+,30+,32-,33+,34-,35-/m0/s1
SMILES COCC12CN(C=O)C3C4C(OC)C1C3(C(OC)CC2O)C1CC2(O)C(OC)CC4(OC(C)=O)C1C2OC(=O)c1ccc(OC)c(OC)c1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum falconeri Ref.
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