input word = C00001662

Metabolite InformationStructural formula
Name Septentrionine
Formula C38H54N2O11
Mw 714.37276058
CAS RN 70553-63-8
C_ID C00001662 ,
InChIKey PXDSODACKDGKHO-MTMYNHDJNA-N
InChICode InChI=1S/C38H54N2O11/c1-8-40-19-35(20-51-33(43)21-11-9-10-12-24(21)39-27(41)13-14-28(42)47-4)16-15-26(46-3)37-23-17-22-25(45-2)18-36(50-7,29(23)30(22)48-5)38(44,34(37)40)32(49-6)31(35)37/h9-12,22-23,25-26,29-32,34,44H,8,13-20H2,1-7H3,(H,39,41)/t22-,23-,25+,26+,29-,30+,31-,32+,34+,35+,36-,37+,38-/m1/s1
SMILES CCN1C[C@]2(COC(=O)c3ccccc3NC(=O)CCC(=O)OC)CC[C@H](OC)[C@]34C1[C@](O)([C@@H](OC)[C@H]23)[C@@]1(OC)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum barbatum Ref.
PlantaeRanunculaceaeAconitum septentrionale Ref.
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