input word = C00027045

Metabolite InformationStructural formula
Name Alstonerinal
(-)-Alstonerinal
Formula C21H24N2O2
Mw 336.18377802
CAS RN 158725-12-3
C_ID C00027045 ,
InChIKey AUSQYXZCCIDHMV-OLLSCONUNA-N
InChICode InChI=1S/C21H24N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3/t14-,17+,19-,20-/m0/s1
SMILES CC1=C(C=O)[C@@H]2C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@@H]2CO1)N3C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia angustifolia Ref.
PlantaeApocynaceaeAlstonia angustifolia var.latifolia Ref.
PlantaeApocynaceaeAlstonia macrophylla Ref.
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