input word = C00025087

Metabolite InformationStructural formula
Name 21-Oxogelsevirine
Formula C21H22N2O4
Mw 366.15795721
CAS RN 104386-95-0
C_ID C00025087 ,
InChIKey LZUOAJIWRAAAGN-HTVPMOEFNA-N
InChICode InChI=1S/C21H22N2O4/c1-4-20-13-9-15-21(12-7-5-6-8-14(12)23(26-3)19(21)25)17(20)16(11(13)10-27-15)22(2)18(20)24/h4-8,11,13,15-17H,1,9-10H2,2-3H3/t11-,13+,15+,16+,17-,20-,21-/m0/s1
SMILES C=C[C@]12C(=O)N(C)C3C4COC(CC41)[C@]1(C(=O)N(OC)c4ccccc41)C32
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeGelsemiaceaeGelsemium rankinii Ref.
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