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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OrganismStrychnos nux-vomica
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Yang, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 18, (1993), 739.

Cai, et al., J of Natural Medicines(Japan), 44, (1990), 42.

Cai, et al., J of Natural Medicines(Japan), 49, (1995), 39