input word = C00038407

Metabolite InformationStructural formula
Name Aljesaconitine A
Formula C34H49NO11
Mw 647.33056142
CAS RN 101247-23-8
C_ID C00038407 ,
InChIKey DWVVOMRTTNVOTP-WJNBQZHPNA-N
InChICode InChI=1S/C34H49NO11/c1-8-35-15-31(16-40-2)20(36)13-21(42-4)33-19-14-32(39)28(46-30(38)17-9-11-18(41-3)12-10-17)22(19)34(45-7,27(37)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h9-12,19-29,36-37,39H,8,13-16H2,1-7H3/t19-,20-,21+,22-,23-,24-,25?,26+,27+,28-,29+,31+,32-,33-,34+/m1/s1
SMILES [C@H]12[C@@H]3N(C[C@]4([C@H]([C@@]3([C@@H]3C[C@@]5([C@H]([C@@H]([C@@]2([C@H]3[C@H]5OC(=O)c2ccc(cc2)OC)OC)O)OC)O)[C@H](C[C@H]4O)OC)[C@@H]1OC)COC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum japonicum Ref.
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