input word = C00027054

Metabolite InformationStructural formula
Name Alstofoline
Formula C21H22N2O4
Mw 366.15795721
CAS RN 301521-97-1
C_ID C00027054 ,
InChIKey SANFAUSBJXJGKX-TUPTUVIWNA-N
InChICode InChI=1S/C21H22N2O4/c1-12(25)14-9-27-10-15-13(14)7-19-21(8-18(15)23(19)11-24)16-5-3-4-6-17(16)22(2)20(21)26/h3-6,9,11,13,15,18-19H,7-8,10H2,1-2H3/t13-,15+,18-,19-,21?/m0/s1
SMILES C(=O)N1[C@@H]2[C@@]3(C[C@H]1[C@H]1[C@@H](C2)C(=COC1)C(=O)C)C(=O)N(c1c3cccc1)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
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OrganismAlstonia angustifolia var.latifolia
ReferenceKam,Phytochem.,65,(2004),603