input word = C00025081

Metabolite InformationStructural formula
Name Paucivenine
Formula C40H48N4O2
Mw 616.37772681
CAS RN 69734-97-0
C_ID C00025081 ,
InChIKey CUAUZYBIYIHENN-UHFFFAOYNA-N
InChICode InChI=1S/C40H48N4O2/c1-4-37-17-10-21-43-23-19-39(35(37)43)28-13-7-8-14-29(28)41-34(39)40(25-37,36(45)46-3)31-24-44-30-15-9-6-12-26(30)27-16-22-42-20-11-18-38(31,5-2)33(42)32(27)44/h6-10,12-15,17,31,33-35,41H,4-5,11,16,18-25H2,1-3H3/t31-,33+,34-,35+,37-,38-,39+,40+/m0/s1
SMILES C1CC[C@@]2([C@@H]3N1CCc1c3n(C[C@@H]2[C@]2([C@H]3Nc4ccccc4[C@@]43CCN3[C@@H]4[C@](C2)(C=CC3)CC)C(=O)OC)c2c1cccc2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus balansae var.paucivenosus Ref.
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