input word = C00025080

Metabolite InformationStructural formula
Name Insulopinine
Formula C40H46N4O2
Mw 614.36207674
CAS RN 102965-05-9
C_ID C00025080 ,
InChIKey AWTAKEPXLUPLBV-SFONOHPINA-N
InChICode InChI=1S/C40H46N4O2/c1-3-37-13-6-18-42-20-12-27-26-8-4-5-9-31(26)44(33(27)34(37)42)32(24-37)25-10-11-30-28(22-25)39-17-21-43-19-7-14-38(36(39)43)15-16-40(39,41-30)29(23-38)35(45)46-2/h4-6,8-11,13,22,29,32,34,36,41H,3,7,12,14-21,23-24H2,1-2H3/t29-,32-,34-,36+,37+,38-,39+,40-/m1/s1
SMILES C1C=C[C@@]2([C@@H]3N1CCc1c3n([C@H](C2)c2ccc3c(c2)[C@@]24[C@@]5(N3)CC[C@@]3([C@@H]4N(CCC3)CC2)C[C@@H]5C(=O)OC)c2c1cccc2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus insulae-pinorum Ref.
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