input word = C00025726

Metabolite InformationStructural formula
Name 19'-20'-Epoxyconoduramine
Formula C43H52N4O6
Mw 720.38868542
CAS RN 66138-60-1
C_ID C00025726 ,
InChIKey KFAXDOIQCHDQTO-UHFFFAOYNA-N
InChICode InChI=1S/C43H52N4O6/c1-7-24-14-23-19-42(41(49)52-6)38-26(12-13-47(20-23)39(24)42)27-15-28(35(50-4)18-33(27)45-38)29-16-31-36(40(48)51-5)34(46(3)21-43(31)22(2)53-43)17-30-25-10-8-9-11-32(25)44-37(29)30/h8-11,15,18,22-24,29,31,34,36,39,44-45H,7,12-14,16-17,19-21H2,1-6H3/t22-,23-,24+,29+,31-,34+,36-,39+,42-,43+/m0/s1
SMILES CCC1CC2CN3CCc4c([nH]c5cc(OC)c(C6CC7C(C(=O)OC)C(Cc8c6[nH]c6ccccc86)N(C)CC76OC6C)cc45)C(C(=O)OC)(C2)C13
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana johnstonii (Stapf) Pichon Ref.
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