input word = C00024691

Metabolite InformationStructural formula
Name Bismurrayafoline D
Formula C48H56N2O4
Mw 724.42400829
CAS RN 139726-49-1
C_ID C00024691 ,
InChIKey YBPCZVAPCCHDDP-YAGSLNJISA-N
InChICode InChI=1S/C48H56N2O4/c1-27(2)13-11-15-29(5)17-19-35-39(53-9)23-21-33-37-25-31(7)41(47(51)45(37)49-43(33)35)42-32(8)26-38-34-22-24-40(54-10)36(44(34)50-46(38)48(42)52)20-18-30(6)16-12-14-28(3)4/h13-14,17-18,21-26,49-52H,11-12,15-16,19-20H2,1-10H3/b29-17+,30-18+
SMILES c1(ccc2c(c1C/C=C(/CCC=C(C)C)\C)[nH]c1c2cc(c(c1O)c1c(cc2c3ccc(c(c3[nH]c2c1O)C/C=C(/CCC=C(C)C)\C)OC)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya euchrestifolia Ref.
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OrganismMurraya euchrestifolia
ReferenceIto,Chem.Pharm.Bull.,39,(1991),2525