input word = C00043157

Metabolite InformationStructural formula
Name 14-Deacetyl-14-isobutyrylajadine
(+)-14-Deacetyl-14-isobutyrylajadine
Formula C37H52N2O10
Mw 684.3621959
CAS RN 254876-72-7
C_ID C00043157 ,
InChIKey HSMSTEOBVIMRFO-LRPOKMSVNA-N
InChICode InChI=1S/C37H52N2O10/c1-8-39-17-34(18-48-32(42)21-11-9-10-12-24(21)38-20(4)40)14-13-26(46-6)36-23-15-22-25(45-5)16-35(43,27(23)28(22)49-31(41)19(2)3)37(44,33(36)39)30(47-7)29(34)36/h9-12,19,22-23,25-30,33,43-44H,8,13-18H2,1-7H3,(H,38,40)/t22-,23+,25-,26-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1
SMILES [C@@H]12[C@]3([C@H]([C@H]4[C@]1([C@@H]1C[C@H]5[C@H](C[C@]3([C@H]1[C@H]5OC(=O)C(C)C)O)OC)[C@H](CC[C@]4(CN2CC)COC(=O)c1c(cccc1)NC(=O)C)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium scabriflorum Ref.
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
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