input word = C00001866

Metabolite InformationStructural formula
Name Hernandezine
Formula C39H44N2O7
Mw 652.31485177
CAS RN 6681-13-6
C_ID C00001866 ,
InChIKey FUZMQNZACIFDBL-REMWNZQGNA-N
InChICode InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1
SMILES c12c3c(c(c(c1OC)OC)OC)Oc1c(cc4c(c1)[C@@H](N(CC4)C)Cc1ccc(Oc4c(ccc(C[C@@H]3N(CC2)C)c4)OC)cc1)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeStephania hernandifolia Ref.
PlantaeRanunculaceaeThalictrum alpinum L. Ref.
PlantaeRanunculaceaeThalictrum hernandezi Ref.
PlantaeRanunculaceaeThalictrum simplex Ref.
PlantaeRanunculaceaeThalictrum symplex Ref.
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OrganismStephania hernandifolia
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter21