input word = C00025763

Metabolite InformationStructural formula
Name Accedinine
Formula C41H48N4O4
Mw 660.36755605
CAS RN 61551-77-7
C_ID C00025763 ,
InChIKey NZQQNPWOZBAVEC-WGIBKUGSNA-N
InChICode InChI=1S/C41H48N4O4/c1-6-22-19-43(3)36-16-29-25-10-8-9-11-33(25)42-38(29)27(15-26(22)37(36)40(47)49-5)24-12-13-34-28(14-24)30-17-35-32(21-46)31-18-41(48,39(30)44(34)4)45(35)20-23(31)7-2/h6-14,26-27,31-32,35-37,42,46,48H,15-21H2,1-5H3/b22-6-,23-7-/t26-,27+,31-,32+,35-,36-,37+,41-/m1/s1
SMILES [C@@H]12[C@@H]([C@@H]3N([C@](c4c(c5c(n4C)ccc(c5)[C@H]4c5c(C[C@H]6N(C/C(=C/C)/[C@@H](C4)[C@@H]6C(=O)OC)C)c4c([nH]5)cccc4)C3)(C1)O)C/C/2=C/C)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana accedens Mull.Arg. Ref.
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OrganismTabernaemontana accedens Mull.Arg.
ReferenceAchenbach,Chem.Ber.,109,(1976),3527