input word = C00025764

Metabolite InformationStructural formula
Name Accedinisine
Formula C41H48N4O3
Mw 644.37264143
CAS RN 61551-76-6
C_ID C00025764 ,
InChIKey GDDCFKNGZKUROH-WGIBKUGSNA-N
InChICode InChI=1S/C41H48N4O3/c1-6-22-19-43(3)36-17-30-25-10-8-9-11-33(25)42-39(30)28(15-27(22)38(36)41(47)48-5)24-12-13-34-29(14-24)31-18-35-32(21-46)26-16-37(40(31)44(34)4)45(35)20-23(26)7-2/h6-14,26-28,32,35-38,42,46H,15-21H2,1-5H3/b22-6-,23-7-/t26-,27+,28-,32-,35-,36+,37-,38-/m0/s1
SMILES [C@H]12[C@@H]([C@H]3N([C@H](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)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.
zoom in