input word = C00047708

Metabolite InformationStructural formula
Name Alstoyunine B
Formula C20H24N2O3
Mw 340.17869265
CAS RN 1188932-12-8
C_ID C00047708 ,
InChIKey ALUUTSZMHKEPEI-UHFFFAOYNA-N
InChICode InChI=1S/C20H24N2O3/c1-9-16-12-8-15-18-11(10-5-3-4-6-13(10)21-18)7-14(22(9)15)17(12)20(24-2)25-19(16)23/h3-6,9,12,14-17,19-21,23H,7-8H2,1-2H3/t9-,12+,14+,15+,16-,17-,19+,20+/m1/s1
SMILES [C@@H]12N3[C@@H]([C@H]4[C@H](O[C@@H]([C@@H]1[C@H]4C[C@H]3c1c(C2)c2c([nH]1)cccc2)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia yunnanensis Ref.
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