input word = C00026723

Metabolite InformationStructural formula
Name 8,8''-Biskoenigine
Formula C38H36N2O6
Mw 616.2573369
CAS RN 477890-82-7
C_ID C00026723 ,
InChIKey DQRAEENKHHFBHV-UHFFFAOYSA-N
InChICode InChI=1S/C38H36N2O6/c1-17-13-21-23-15-25(43-7)33(41)27(31(23)39-29(21)19-9-11-37(3,4)45-35(17)19)28-32-24(16-26(44-8)34(28)42)22-14-18(2)36-20(30(22)40-32)10-12-38(5,6)46-36/h9-16,39-42H,1-8H3
SMILES c12c(cc(c(c1c1c3c(cc(c1O)OC)c1c([nH]3)c3c(c(c1)C)OC(C=C3)(C)C)O)OC)c1c([nH]2)c2c(c(c1)C)OC(C=C2)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya koenigii Ref.
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