input word = C00039459

Metabolite InformationStructural formula
Name Isothalirine
Formula C42H52N2O9
Mw 728.36728127
CAS RN 246852-82-4
C_ID C00039459 ,
InChIKey QAQKPFYSONCQAR-UHFFFAOYNA-N
InChICode InChI=1S/C42H52N2O9/c1-43-15-13-27-22-35(47-5)36(48-6)23-29(27)31(43)18-26-20-37(49-7)41(51-9)38(21-26)53-39-24-30-28(40(50-8)42(39)52-10)14-16-44(2)32(30)17-25-11-12-33(45-3)34(19-25)46-4/h11-12,19-24,31-32H,13-18H2,1-10H3/t31-,32+/m0/s1
SMILES COc1ccc(CC2c3cc(Oc4cc(CC5c6cc(OC)c(OC)cc6CCN5C)cc(OC)c4OC)c(OC)c(OC)c3CCN2C)cc1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
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OrganismIsopyrum thalictroides
ReferencePhilipov,Phytochem.,51,(1999),1161