input word = C00001610

Metabolite InformationStructural formula
Name Aconifine
Formula C34H47NO12
Mw 661.30982597
CAS RN 41849-35-8
C_ID C00001610 ,
InChIKey GMSKTJVHWUUOMY-WFVKRDJYNA-N
InChICode InChI=1S/C34H47NO12/c1-7-35-15-30(16-42-3)19(37)13-20(43-4)33-23(30)22(44-5)21(25(33)35)34(47-17(2)36)24-27(46-29(39)18-11-9-8-10-12-18)31(40,14-32(24,33)41)28(45-6)26(34)38/h8-12,19-28,37-38,40-41H,7,13-16H2,1-6H3/t19-,20+,21+,22-,23-,24+,25-,26+,27-,28+,30+,31-,32+,33-,34+/m1/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](C[C@H]1O)OC)[C@]1([C@H]5[C@@]([C@@H]([C@H]3OC)[C@H]4N(C2)CC)([C@H]([C@@H]([C@]([C@@H]5OC(=O)c2ccccc2)(C1)O)OC)O)OC(=O)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum karakolicum Ref.
PlantaeRanunculaceaeAconitum nagarum Ref.
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