input word = C00051303

Metabolite InformationStructural formula
Name Liwaconitine
Formula C41H53NO11
Mw 735.36186154
CAS RN 86408-15-3
C_ID C00051303
InChIKey RYCIRRXOFHVZHA-QWNVIMGDNA-N
InChICode InChI=1S/C41H53NO11/c1-8-42-21-38(22-46-2)18-17-28(49-5)41-27-19-39(45)29(50-6)20-40(31(34(41)42)32(51-7)33(38)41,53-37(44)24-11-15-26(48-4)16-12-24)30(27)35(39)52-36(43)23-9-13-25(47-3)14-10-23/h9-16,27-35,45H,8,17-22H2,1-7H3/t27-,28+,29+,30-,31+,32+,33-,34-,35-,38+,39+,40-,41+/m1/s1
SMILES CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(OC(=O)c2ccc(OC)cc2)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccc(OC)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum forrrestii Ref.
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