input word = C00025698

Metabolite InformationStructural formula
Name (20'S)-19',20'-Dihydrotabernamine
19,20-Dihydrotabernamine
Formula C40H50N4O2
Mw 618.39337687
CAS RN 79543-26-3
C_ID C00025698 ,
InChIKey WFIHZDRDQMJSQS-UHFFFAOYNA-N
InChICode InChI=1S/C40H50N4O2/c1-5-23-16-22-17-32-37-28(14-15-44(20-22)39(23)32)26-11-9-12-27(36(26)42-37)30-18-29-24(6-2)21-43(3)34(35(29)40(45)46-4)19-31-25-10-7-8-13-33(25)41-38(30)31/h7-13,22-24,29-30,32,34-35,39,41-42H,5-6,14-21H2,1-4H3/t22-,23+,24-,29-,30+,32+,34-,35+,39+/m1/s1
SMILES [C@H]12CN3[C@H]([C@H](c4[nH]c5c([C@@H]6C[C@H]7[C@@H]([C@@H](Cc8c6[nH]c6c8cccc6)N(C)C[C@H]7CC)C(=O)OC)cccc5c4CC3)C1)[C@H](C2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia divaricata Gouyahua Ref.
PlantaeApocynaceaeTabernaemontana coffeoides Boj. Ref.
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