input word =
C00001620
Metabolite Information
Structural formula
Name
Bikhaconitine
Formula
C36H51NO11
Mw
673.34621148
CAS RN
6078-26-8
C_ID
C00001620 ,
InChIKey
CYIFGHJXUWZGSW-WKZZUPMSNA-N
InChICode
InChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28-,29-,30-,31-,33+,34+,35+,36+/m1/s1
SMILES
C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@]([C@@H]([C@H]3OC)[C@H]4N(C2)CC)(C[C@@H]([C@]([C@@H]5OC(=O)c2ccc(c(c2)OC)OC)(C1)O)OC)OC(=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
L-Trp
L-Tyr
Secologanin
Organism
Kingdom
Family
Species
Reference
Plantae
Ranunculaceae
Aconitum ferox
Ref.
Plantae
Ranunculaceae
Aconitum spicatum
Ref.
Plantae
Ranunculaceae
Aconitum violaceum
Ref.
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