input word = C00024582

Metabolite InformationStructural formula
Name Modestanine
Deoxoapodine
Demethoxyvandrikine
Modestamine
Formula C21H24N2O3
Mw 352.17869265
CAS RN 57932-88-4
C_ID C00024582 ,
InChIKey VCQDLWMBEJFDFJ-LKATXEFVNA-N
InChICode InChI=1S/C21H24N2O3/c1-25-18(24)13-12-20-8-11-26-16(20)6-9-23-10-7-21(19(20)23)14-4-2-3-5-15(14)22-17(13)21/h2-5,16,19,22H,6-12H2,1H3/t16-,19-,20+,21-/m0/s1
SMILES c1ccc2c(c1)[C@@]13C(=C(C[C@@]45[C@@H]1N(CC[C@@H]4OCC5)CC3)C(=O)OC)N2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeErvatamia coronaria Ref.
PlantaeApocynaceaeHazunta modesta var.modesta subvar montana Ref.
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