input word = C00050881

Metabolite InformationStructural formula
Name Isobrucine N-oxide
Formula C23H26N2O5
Mw 410.18417196
CAS RN 130641-43-9
C_ID C00050881
InChIKey ICEFLCNOUJCINW-WLRTZDKTNA-N
InChICode InChI=1S/C23H26N2O5/c1-29-18-10-16-17(11-19(18)30-2)24-21(27)4-3-14-15-9-20-23(16,22(14)24)6-7-25(20,28)12-13(15)5-8-26/h3,5,10-11,15,20,22,26H,4,6-9,12H2,1-2H3
SMILES COc1cc2c(cc1OC)C13CC[N+]4([O-])C/C(=CCO)C(CC14)C1=CCC(=O)N2C13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
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