input word = C00001695

Metabolite InformationStructural formula
Name Brucine
Formula C23H26N2O4
Mw 394.18925733
CAS RN 357-57-3
C_ID C00001695 ,
InChIKey RRKTZKIUPZVBMF-RWZBOOCGNA-N
InChICode InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
SMILES c1c(c(cc2c1[C@@]13[C@H]4N2C(=O)C[C@H]2[C@@H]4[C@H]4C[C@@H]1N(CC3)CC4=CCO2)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos aculeata Ref.
PlantaeLonganiaceaeStrychnos ignatii Ref.
PlantaeLonganiaceaeStrychnos ligustrina Ref.
PlantaeLonganiaceaeStrychnos lucida Ref.
PlantaeLonganiaceaeStrychnos nux-vomica Ref.
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