input word = C00040643

Metabolite InformationStructural formula
Name Voachalotine
Formula C22H26N2O3
Mw 366.19434271
CAS RN 664-25-5
C_ID C00040643 ,
InChIKey IWEYXWIPVZEVPT-HTZZGTHNNA-N
InChICode InChI=1S/C22H26N2O3/c1-4-13-11-24-18-10-16(13)22(12-25,21(26)27-3)19(24)9-15-14-7-5-6-8-17(14)23(2)20(15)18/h4-8,16,18-19,25H,9-12H2,1-3H3/b13-4-/t16-,18-,19-,22+/m0/s1
SMILES [C@H]12[C@]([C@H]3N([C@H](c4c(C3)c3c(n4C)cccc3)C1)C/C/2=C/C)(C(=O)OC)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia officinalis Ref.
PlantaeApocynaceaeOchrosia acuminata Ref.
PlantaeApocynaceaeVoacanga chalotiana Pierre et Stapf. Ref.
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OrganismErvatamia officinalis
ReferenceZhang,J.Nat.Prod.,70,(2007),54