input word = C00026079

Metabolite InformationStructural formula
Name Voacorine
Voacaline
Formula C43H52N4O6
Mw 720.38868542
CAS RN 5130-80-3
C_ID C00026079 ,
InChIKey UIEKMUULTFWIHX-VAPIAZESNA-N
InChICode InChI=1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7-/t22-,23+,27+,28+,31-,35+,37-,40-,43-/m0/s1
SMILES [C@H]12CN3[C@H]([C@@](c4[nH]c5cc(c(cc5c4CC3)OC)[C@H]3c4[nH]c5ccccc5c4C[C@H]4N(C/C(=C/C)/[C@@H](C3)[C@@H]4C(=O)OC)C)(C1)C(=O)OC)[C@H](C2)[C@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana brachyantha Stapf. Ref.
PlantaeApocynaceaeVoacanga africana Stapf. Ref.
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