input word = C00024586

Metabolite InformationStructural formula
Name Obscurinervine
Formula C25H30N2O5
Mw 438.21547208
CAS RN 7097-00-9
C_ID C00024586 ,
InChIKey BCNQBLDOHDCWRS-NCSOEBANNA-N
InChICode InChI=1S/C25H30N2O5/c1-4-14-13-31-22-20-15(10-16(29-2)21(22)30-3)25-7-9-26-8-5-6-24(23(25)26)12-19(28)32-18(24)11-17(25)27(14)20/h5-6,10,14,17-18,23H,4,7-9,11-13H2,1-3H3/t14-,17-,18+,23+,24+,25-/m1/s1
SMILES CC[C@@H]1COc2c(OC)c(OC)cc3c2N1[C@@H]1C[C@@H]2OC(=O)C[C@@]24C=CCN2CC[C@@]31[C@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAspidosperma cruenta Ref.
PlantaeApocynaceaeAspidosperma obscurinervum Ref.
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OrganismAspidosperma obscurinervum
ReferenceBrown,J.Am.Chem.Soc.,86,(1964),2451