input word = C00027050

Metabolite InformationStructural formula
Name Isoalstonisine
Formula C20H22N2O3
Mw 338.16304258
CAS RN 301521-98-2
C_ID C00027050 ,
InChIKey JUWMPKQYUSKQSY-HHAPAZLGNA-N
InChICode InChI=1S/C20H22N2O3/c1-11(23)13-9-25-10-14-12(13)7-18-20(8-16(14)21-18)15-5-3-4-6-17(15)22(2)19(20)24/h3-6,9,12,14,16,18,21H,7-8,10H2,1-2H3/t12-,14+,16-,18-,20+/m0/s1
SMILES CC(=O)C1=COC[C@H]2[C@@H]3C[C@]4(C(=O)N(C)c5ccccc54)[C@H](C[C@@H]12)N3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro 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