input word = C00044867

Metabolite InformationStructural formula
Name Leueantine A
(+)-Leueantine A
Formula C36H49NO9
Mw 639.34073217
CAS RN 499969-75-4
C_ID C00044867 ,
InChIKey GEEMTDQCJBQOPP-YURLBNGQNA-N
InChICode InChI=1S/C36H49NO9/c1-7-37-18-34(19-41-3)25(39)16-26(43-5)36-23-15-22-24(42-4)17-35(28(23)30(22)45-20(2)38,29(33(36)37)31(44-6)32(34)36)46-27(40)14-13-21-11-9-8-10-12-21/h8-14,22-26,28-33,39H,7,15-19H2,1-6H3/b14-13+/t22-,23-,24+,25-,26+,28-,29+,30+,31-,32-,33-,34+,35+,36+/m1/s1
SMILES C1[C@H]([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)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum hemsleyanum var.leucanthus Ref.
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