input word = C00027393

Metabolite InformationStructural formula
Name Isopythaldine
Formula C43H48N2O10
Mw 752.33089577
CAS RN 307342-50-3
C_ID C00027393 ,
InChIKey YFNGFDLAUMVQDZ-LETMKSKHNA-N
InChICode InChI=1S/C43H48N2O10/c1-45-14-12-28-31(21-38(49-4)43(53-8)42(28)52-7)33(45)16-26-10-9-25(40(50-5)41(26)51-6)15-27-18-36-37(55-23-54-36)19-29(27)32(22-46)39-30-20-35(48-3)34(47-2)17-24(30)11-13-44-39/h9-10,17-22,33,44H,11-16,23H2,1-8H3/b39-32+/t33-/m1/s1
SMILES COc1cc2c(cc1OC)/C(=C(/C=O)c1cc3c(cc1Cc1ccc(CC4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
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