input word = C00001791

Metabolite InformationStructural formula
Name Adiantifoline
Formula C42H50N2O9
Mw 726.35163121
CAS RN 20823-96-5
C_ID C00001791 ,
InChIKey UEKRHVIBSZVFQN-REMWNZQGNA-N
InChICode InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1
SMILES c12c3[C@@H](N(CC1)C)Cc1c(c3c(c(c2OC)OC)OC)cc(c(c1)Oc1cc(c(cc1C[C@H]1c2c(CCN1C)cc(c(c2)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum honanense Ref.
PlantaeRanunculaceaeThalictrum minus var. adiantifolium Ref.
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