input word = C00039458

Metabolite InformationStructural formula
Name Isothalictrine
Formula C41H44N2O10
Mw 724.29959564
CAS RN 241482-19-9
C_ID C00039458 ,
InChIKey ZMOQZKRVYQLURK-UHFFFAOYNA-N
InChICode InChI=1S/C41H44N2O10/c1-43-15-13-23-18-32(45-3)33(46-4)20-27(23)30(43)17-25-19-34(39(49-7)41(50-8)37(25)48-6)53-35-21-28-26(38-40(35)52-22-51-38)12-14-42-29(28)16-24-10-9-11-31(44-2)36(24)47-5/h9-12,14,18-21,30H,13,15-17,22H2,1-8H3/t30-/m1/s1
SMILES c12c(c(cc3c1ccnc3Cc1c(c(ccc1)OC)OC)Oc1c(c(c(c(c1)C[C@@H]1c3c(CCN1C)cc(c(c3)OC)OC)OC)OC)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeIsopyrum thalictroides Ref.
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