input word = C00027553

Metabolite InformationStructural formula
Name Isopythaline
Formula C40H46N2O8
Mw 682.32541646
CAS RN 189316-08-3
C_ID C00027553 ,
InChIKey YJLUBKAIDVYKEO-ZBSZVIOYNA-N
InChICode InChI=1S/C40H46N2O8/c1-41-14-12-26-20-33(43-3)34(44-4)21-29(26)31(41)17-25-18-35(45-5)39(47-7)37(19-25)50-27-10-8-24(9-11-27)16-32-30-22-36(46-6)40-38(48-23-49-40)28(30)13-15-42(32)2/h8-11,18-22,31-32H,12-17,23H2,1-7H3/t31-,32+/m0/s1
SMILES c12c(c(cc3c1CCN([C@@H]3Cc1ccc(cc1)Oc1c(c(cc(c1)C[C@H]1c3c(CCN1C)cc(c(c3)OC)OC)OC)OC)C)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalicroides Ref.
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
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