input word = C00037228

Metabolite InformationStructural formula
Name Guiaflavine
Formula C40H42N4O2
Mw 610.33077661
CAS RN 229011-55-6
C_ID C00037228 ,
InChIKey AAJSOHFSWPEFNN-NGXAZHFUNA-O
InChICode InChI=1S/C40H41N4O2/c1-4-23-20-42-15-12-25-35-30(9-7-11-33(35)45-3)41-37(25)32(42)18-26(23)28-21-43-31-10-6-5-8-29(31)40-14-16-44(2)22-24-13-17-46-38(28)36(39(40)43)27(24)19-34(40)44/h5-11,13,18,20-21,27,34,36,38-39H,4,12,14-17,19,22H2,1-3H3/q+1/p+1/t27-,34-,36-,38-,39-,40+,44-/m0/s1
SMILES [n+]12CCc3c(c1cc(c(c2)CC)C1=CN2[C@H]4[C@@H]5[C@H]1OCC=C1[C@@H]5C[C@H]5[C@]4(c4c2cccc4)CC[N@+]5(C1)C)[nH]c1c3c(ccc1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos guianensis Ref.
zoom in