input word = C00029107

Metabolite InformationStructural formula
Name Thalifortine
Formula C37H40N2O6
Mw 608.28863702
CAS RN 129785-17-7
C_ID C00029107 ,
InChIKey KHNITWQNJMUVRC-SPFVONBBNA-N
InChICode InChI=1S/C37H40N2O6/c1-38-14-12-24-19-33(41-3)34-20-27(24)29(38)17-23-8-11-31(40)32(18-23)44-25-9-6-22(7-10-25)16-30-28-21-35(42-4)37(43-5)36(45-34)26(28)13-15-39(30)2/h6-11,18-21,29-30,40H,12-17H2,1-5H3/t29-,30+/m0/s1
SMILES c12ccc(c(c1)Oc1ccc(cc1)C[C@H]1N(CCc3c1cc(c(c3Oc1cc3[C@H](C2)N(CCc3cc1OC)C)OC)OC)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum fortunei Ref.
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