input word = C00026076

Metabolite InformationStructural formula
Name Venoxidine
Venenatine N-oxide
Venenatine Nb-oxide
Formula C22H28N2O5
Mw 400.19982202
CAS RN 1056-57-1
C_ID C00026076 ,
InChIKey SANIGXXUGRLAGR-UHFFFAOYNA-N
InChICode InChI=1S/C22H28N2O5/c1-28-18-5-3-4-15-19(18)13-8-9-24(27)11-12-6-7-17(25)20(22(26)29-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14-,16+,17+,20+,24+/m0/s1
SMILES COC(=O)C1C(O)CCC2C[N+]3([O-])CCc4c([nH]c5cccc(OC)c45)C3CC21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia venenata R.Br Ref.
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OrganismAlstonia venenata R.Br
ReferenceChaterjee,Tetrahedron Lett.,(1965),159