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 c1(c(cc2c(c1)[C@@]13[C@H]4N2C(=O)C[C@H]2[C@@H]4[C@H]4C[C@@H]1N(=O)(CC3)CC4=CCO2)OC)OC
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 wallichiana
ReferenceBisset,Phytochem.,13,(1974),259