input word = C00027168

Metabolite InformationStructural formula
Name Thaliphine
Formula C41H44N2O11
Mw 740.29451026
CAS RN 790227-72-4
C_ID C00027168 ,
InChIKey YRJXNTYZVFUKPV-UHFFFAOYNA-N
InChICode InChI=1S/C41H44N2O11/c1-43-12-11-21-23(15-31(47-4)41(51-8)38(21)49-6)25(43)13-20-14-29(45-2)30(46-3)17-28(20)54-32-16-24-26(44)18-42-36-33(24)35(39(32)50-7)34-22(37(36)48-5)9-10-27-40(34)53-19-52-27/h9-10,14-17,25-26,42,44H,11-13,18-19H2,1-8H3/t25-,26+/m1/s1
SMILES c12c(ccc3c1OCO3)c(c1c3c2c(c(cc3[C@H](CN1)O)Oc1c(cc(c(c1)OC)OC)C[C@@H]1c2c(CCN1C)c(c(c(c2)OC)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
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