input word = C00027491

Metabolite InformationStructural formula
Name Thalibealine
(-)-Thalibealine
Formula C42H49N2O9
Mw 725.34380618
CAS RN 351531-39-0
C_ID C00027491 ,
InChIKey AFLFUXQTWZZMDX-WRKQDWSKNA-N
InChICode InChI=1S/C42H48N2O9/c1-43-12-11-25-36-30(43)14-23-16-34(33(47-4)20-27(23)37(36)41(51-8)42(52-9)38(25)49-6)53-39-28-18-29-26-19-32(46-3)31(45-2)15-22(26)10-13-44(29)21-24(28)17-35(48-5)40(39)50-7/h15-17,19-20,29-30H,10-14,18,21H2,1-9H3/t29-,30+/m1/s1
SMILES c1(c(cc2c(c1)c1c3[C@H](C2)N(CCc3c(c(c1OC)OC)OC)C)Oc1c(c(cc2c1C[C@H]1N(C2)CCc2c1cc(c(c2)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum wangii Ref.
PlantaeRanunculaceaeThalictrum wanqii Ref.
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