input word = C00025156

Metabolite InformationStructural formula
Name Brucine N-oxide
Formula C23H26N2O5
Mw 410.18417196
CAS RN 17301-81-4
C_ID C00025156 ,
InChIKey HHHQMKWPZAYIAE-PJGUPHGLNA-N
InChICode InChI=1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+,25+/m0/s1
SMILES COc1cc2c(cc1OC)[C@@]13CC[N+]4([O-])CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos atlantica Ref.
PlantaeLonganiaceaeStrychnos lucida R.Br. Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeLonganiaceaeStrychnos wallichiana Ref.
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OrganismStrychnos spinosa
ReferenceBavovada,Ph.D.Thesis,Chelsea College,Univ.of London(1983)