input word = C00029802

Metabolite InformationStructural formula
Name Beiwudine
Formula C31H41NO8
Mw 555.28321729
CAS RN 219314-07-5
C_ID C00029802 ,
InChIKey PPFAXCLJDSSALI-UHFFFAOYNA-N
InChICode InChI=1S/C31H41NO8/c1-5-32-15-29(16-36-2)12-11-21(37-3)31-19-14-30(35)25(40-27(34)17-9-7-6-8-10-17)22(19)18(23(33)26(30)38-4)13-20(24(29)31)39-28(31)32/h6-10,13,19-26,28,33,35H,5,11-12,14-16H2,1-4H3/t19-,20-,21-,22-,23+,24+,25-,26+,28+,29-,30-,31-/m0/s1
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC)C(O)C(=CC(OC13)C24)C5C6OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum kusnezoffii Ref.
PlantaeRanunculaceaeAconitum manshuricum Ref.
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OrganismAconitum manshuricum
ReferenceIshimi,J.Nat.Med.,60,(2006),255