input word = C00044868

Metabolite InformationStructural formula
Name Leueantine B
(+)-Leueantine B
Formula C36H49NO8
Mw 623.34581755
CAS RN 499969-76-5
C_ID C00044868 ,
InChIKey PTWXOFVEMDDRDD-WFTFINMINA-N
InChICode InChI=1S/C36H49NO8/c1-7-37-19-34(20-40-3)16-15-26(42-5)36-24-17-23-25(41-4)18-35(28(24)30(23)44-21(2)38,29(33(36)37)31(43-6)32(34)36)45-27(39)14-13-22-11-9-8-10-12-22/h8-14,23-26,28-33H,7,15-20H2,1-6H3/b14-13+/t23-,24-,25+,26+,28-,29+,30+,31-,32-,33-,34+,35+,36+/m1/s1
SMILES C1C[C@@]2([C@@H]3[C@@]4([C@H]1OC)[C@H]1[C@H]5[C@@](C[C@@H]([C@H]([C@@H]5OC(=O)C)C1)OC)([C@H]([C@H]4N(CC)C2)[C@H]3OC)OC(=O)/C=C/c1ccccc1)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.leucanthus Ref.
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OrganismAconitum hemsleyanum var.leucanthus
ReferenceLi,J.Nat.Prod.,66,(2003),269