input word = C00001619

Metabolite InformationStructural formula
Name Beiwutine
Formula C32H43NO12
Mw 633.27852585
CAS RN 76918-93-9
C_ID C00001619 ,
InChIKey URKUYKQQXBYRGC-GWOTWCSBNA-N
InChICode InChI=1S/C32H43NO12/c1-15(34)45-32-19-20(36)21-28(14-41-3)13-33(2)23(19)31(21,18(42-4)11-17(28)35)30(40)12-29(39,26(43-5)24(32)37)25(22(30)32)44-27(38)16-9-7-6-8-10-16/h6-10,17-26,35-37,39-40H,11-14H2,1-5H3/t17-,18+,19+,20-,21-,22+,23-,24+,25-,26+,28+,29-,30+,31-,32+/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]3O)[C@H]4N(C2)C)([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 L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum kusnezoffi Ref.
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