input word = C00046563

Metabolite InformationStructural formula
Name 16-Deacetylgeyerline
Formula C36H48N2O10
Mw 668.33089577
CAS RN 253328-44-8
C_ID C00046563 ,
InChIKey GFWYSOWSJXKFFQ-BJQZVVFBNA-N
InChICode InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,40,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1
SMILES [C@@H]12C[C@H]3[C@@]45[C@H]6[C@@]([C@]([C@H]3[C@H]2O)(C[C@@H]1OC)O)([C@H]([C@@H]4[C@@](CC[C@@H]5OC)(CN6CC)COC(=O)c1c(N2C(=O)[C@H](CC2=O)C)cccc1)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium nuttallianum Ref.
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