input word = C00027552

Metabolite InformationStructural formula
Name Isopyruthaline
(+)-Isopyruthaline
Formula C42H50N2O10
Mw 742.34654583
CAS RN 189316-07-2
C_ID C00027552 ,
InChIKey VLDVPDNIWBGIGV-GPHMJDBDNA-N
InChICode InChI=1S/C42H50N2O10/c1-43-17-15-28-30(22-34(46-4)41-38(28)52-23-53-41)31(43)18-24-10-12-26(13-11-24)54-35-20-25(36(47-5)42(51-9)40(35)50-8)19-32-29-21-33(45-3)39(49-7)37(48-6)27(29)14-16-44(32)2/h10-13,20-22,31-32H,14-19,23H2,1-9H3/t31-,32-/m0/s1
SMILES c12c(c(cc3c1CCN([C@H]3Cc1ccc(cc1)Oc1c(c(c(c(c1)C[C@H]1c3c(CCN1C)c(c(c(c3)OC)OC)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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OrganismIsopyrum thalictroides
ReferenceS. A. Philipov et al., Chem. Abs., (1997), 126, 314803.