input word = C00049185

Metabolite InformationStructural formula
Name Isomajdine
Formula C23H28N2O6
Mw 428.19473664
CAS RN 20497-41-0
C_ID C00049185 ,
InChIKey TTZWEOINXHJHCY-FAGGELQLNA-N
InChICode InChI=1S/C23H28N2O6/c1-12-14-10-25-8-7-23(18(25)9-13(14)15(11-31-12)21(26)30-4)16-5-6-17(28-2)20(29-3)19(16)24-22(23)27/h5-6,11-14,18H,7-10H2,1-4H3,(H,24,27)/t12-,13-,14-,18-,23+/m0/s1
SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4(C(=O)Nc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeVinca herbacea Waldst.et Kit. Ref.
PlantaeApocynaceaeVinca major L. Ref.
PlantaeApocynaceaeVinca sardoa Ref.
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OrganismVinca herbacea Waldst.et Kit.
ReferenceAynilian,J.Pharm.Sci.,64,(1975),341