input word = C00039457

Metabolite InformationStructural formula
Name Isothalicrine
(+)-Isothalicrine
Formula C42H52N2O10
Mw 744.3621959
CAS RN 246852-81-3
C_ID C00039457 ,
InChIKey IJVBJQZGTABEMP-RFTMCNCJNA-N
InChICode InChI=1S/C42H52N2O10/c1-43-15-13-25-20-34(47-4)35(22-28(25)30(43)17-24-11-12-33(46-3)32(45)18-24)54-37-21-26(38(49-6)42(53-10)41(37)52-9)19-31-29-23-36(48-5)40(51-8)39(50-7)27(29)14-16-44(31)2/h11-12,18,20-23,30-31,45H,13-17,19H2,1-10H3/t30-,31-/m0/s1
SMILES c1(c(c(c(c(c1)Oc1c(cc2c(c1)[C@@H](N(CC2)C)Cc1ccc(c(c1)O)OC)OC)OC)OC)OC)C[C@@H]1N(CCc2c1cc(c(c2OC)OC)OC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
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