input word = C00030727

Metabolite InformationStructural formula
Name Manshuritine
Formula C38H47NO11
Mw 693.31491135
CAS RN 107965-53-7
C_ID C00030727 ,
InChIKey FKNAFVNSRLXKCG-TWVPWWMNNA-N
InChICode InChI=1S/C38H47NO11/c1-39-18-35(19-45-2)23(40)16-24(46-3)37-22-17-36(44)31(49-33(42)20-12-8-6-9-13-20)25(22)38(30(41)32(36)48-5,26(29(37)39)27(47-4)28(35)37)50-34(43)21-14-10-7-11-15-21/h6-15,22-32,40-41,44H,16-19H2,1-5H3/t22-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+,35+,36-,37+,38-/m1/s1
SMILES COC[C@]12CN(C)C3C4[C@H](OC)[C@H]1C3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC(=O)c1ccccc1)[C@@H](O)[C@@H]2OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum manshuricum Ref.
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OrganismAconitum manshuricum
ReferenceIshimi,J.Nat.Med.,60,(2006),255