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/C=C1/CN(C)C2Cc3c([nH]c4ccccc34)C(c3cc4[nH]c5c(c4cc3OC)CCN3CC4CC(C(C)O)C3C5(C(=O)OC)C4)CC1C2C(=O)OC
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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