input word = C00026892

Metabolite InformationStructural formula
Name Bismurrayafoline E
Formula C48H56N2O4
Mw 724.42400829
CAS RN 252350-80-4
C_ID C00026892 ,
InChIKey OUSUKIXJVMBEMB-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)47(51)41(45(37)49-43(33)35)42-46-38(26-32(8)48(42)52)34-22-24-40(54-10)36(44(34)50-46)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(c(cc2c(c1c1c(c(cc3c1[nH]c1c3ccc(c1C/C=C(\C)/CCC=C(C)C)OC)C)O)[nH]c1c2ccc(c1C/C=C(\C)/CCC=C(C)C)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya koenigii Ref.
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OrganismMurraya koenigii
ReferenceNutan,Fitoterapia,70,(1999),130