input word = C00038053

Metabolite InformationStructural formula
Name (-)-Demethylnorpleiomutine
Formula C39H46N4O2
Mw 602.36207674
CAS RN 96935-24-9
C_ID C00038053 ,
InChIKey YKJPOSKZESOFGR-UHFFFAOYNA-N
InChICode InChI=1S/C39H46N4O2/c1-2-36-12-5-17-41-19-11-26-25-7-3-4-8-30(25)43(32(26)33(36)41)31(23-36)24-9-10-29-27(21-24)38-16-20-42-18-6-13-37(35(38)42)14-15-39(38,40-29)28(22-37)34(44)45/h3-4,7-10,21,28,31,33,35,40H,2,5-6,11-20,22-23H2,1H3,(H,44,45)/t28-,31-,33-,35-,36-,37-,38+,39-/m0/s1
SMILES C1CC[C@@]2([C@H]3N1CCc1c3n([C@@H](C2)c2ccc3c(c2)[C@@]24[C@]5(N3)CC[C@]3([C@@H]2N(CCC3)CC4)C[C@H]5C(=O)O)c2c1cccc2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeKopsia dasyrachis Ref.
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