input word = C00024521

Metabolite InformationStructural formula
Name Bannucine
Formula C29H37N3O7
Mw 539.26315056
CAS RN 104380-51-0
C_ID C00024521 ,
InChIKey BJJHBAPHTDPFRO-SVPNXLPJNA-N
InChICode InChI=1S/C29H37N3O7/c1-6-27-10-7-12-32-13-11-28(23(27)32)18-14-17(19-8-9-22(34)30-19)21(37-4)15-20(18)31(3)24(28)29(36,26(35)38-5)25(27)39-16(2)33/h7,10,14-15,19,23-25,36H,6,8-9,11-13H2,1-5H3,(H,30,34)/t19-,23+,24-,25+,27-,28-,29+/m1/s1
SMILES CC[C@]12C=CCN3CC[C@@]4(c5cc(C6CCC(=O)N6)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)C1OC(C)=O)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCatharanthus roseus Ref.
zoom in