input word = C00028855

Metabolite InformationStructural formula
Name Potanidine B
Formula C37H48N2O11
Mw 696.32581039
CAS RN 161068-59-3
C_ID C00028855 ,
InChIKey IZUZVAYMMFNKMJ-UHFFFAOYNA-N
InChICode InChI=1S/C37H48N2O11/c1-6-38-17-34(18-49-32(44)20-9-7-8-10-23(20)39-26(41)11-12-27(39)42)14-13-25(47-4)36-22-15-21-24(46-3)16-35(50-19(2)40,28(22)29(21)48-5)37(45,33(36)38)31(43)30(34)36/h7-10,21-22,24-25,28-31,33,43,45H,6,11-18H2,1-5H3/t21-,22-,24+,25-,28-,29-,30-,31-,33+,34+,35-,36+,37-/m1/s1
SMILES N1(C[C@]2([C@@H]3[C@@]4([C@H]1[C@]([C@@H]3O)([C@@]1([C@@H]3[C@H]4C[C@H]([C@H](C1)OC)[C@H]3OC)OC(=O)C)O)[C@@H](CC2)OC)COC(=O)c1ccccc1N1C(=O)CCC1=O)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium potaninii W.T.Wang Ref.
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