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 CCN1C[C@]2(COC)CC[C@H](OC)C34C1C([C@H](OC)[C@@H]32)[C@@]1(OC(=O)/C=C/c2ccccc2)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.leucanthus Ref.
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