input word = C00024596

Metabolite InformationStructural formula
Name Scandine N-oxide
(+)-Scandine N-oxide
Scandine Nb-oxide
Formula C21H22N2O4
Mw 366.15795721
CAS RN 140701-69-5
C_ID C00024596 ,
InChIKey JFEXDLSGCZTMEH-GWPKHALBNA-N
InChICode InChI=1S/C21H22N2O4/c1-3-19-9-6-11-23(26)12-10-20(16(19)23)14-7-4-5-8-15(14)22-17(24)21(20,13-19)18(25)27-2/h3-9,16H,1,10-13H2,2H3,(H,22,24)/t16-,19-,20+,21+,23+/m0/s1
SMILES C=C[C@]12C=CC[N+]3([O-])CC[C@@]4(c5ccccc5NC(=O)[C@@]4(C(=O)OC)C1)[C@H]23
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus fusiformis Ref.
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OrganismMelodinus fusiformis
ReferenceHe,Huaxue Xuebao,50,(1992),96