input word = C00041686

Metabolite InformationStructural formula
Name N(4)-Methylakuammidine
Formula C22H27N2O3
Mw 367.20216774
CAS RN 6801-17-8
C_ID C00041686 ,
InChIKey JPXQVPFEBZUVBQ-YIXHJXPBNA-N
InChICode InChI=1S/C22H27N2O3/c1-4-13-11-24(2)18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23-20(15)18/h4-8,16,18-19,23,25H,9-12H2,1-3H3/b13-4+/t16-,18-,19-,22-/m1/s1
SMILES [C@@H]12[C@@]([C@@H]3[N@@]([C@@H](c4c(C3)c3c([nH]4)cccc3)C1)(C/C/2=CC)C)(CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeWinchia calophylla Ref.
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OrganismWinchia calophylla
ReferenceGan,J.Nat.Prod.,69,(2006),18