input word = C00037227

Metabolite InformationStructural formula
Name Guiachrysine
Formula C40H44N4O3
Mw 628.3413413
CAS RN 284675-26-9
C_ID C00037227 ,
InChIKey MPBXTVZTOPAKIA-MPCIGYALNA-O
InChICode InChI=1S/C40H43N4O3/c1-4-23-20-42-15-12-25-35-30(9-7-11-33(35)47-3)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(13-17-45)27(19-34(40)44)36(38(28)46)39(40)43/h5-11,13,18,20-21,27,34,36,38-39,45-46H,4,12,14-17,19,22H2,1-3H3/q+1/p+1/b24-13-/t27-,34-,36-,38+,39-,40+,44-/m0/s1
SMILES [n+]12CCc3c(c1cc(c(c2)CC)C1=CN2[C@H]4[C@H]([C@@H]1O)[C@H]1C[C@H]5[C@]4(c4c2cccc4)CC[N@+]5(C/C/1=C/CO)C)[nH]c1c3c(ccc1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos guianensis Ref.
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