input word = C00029113

Metabolite InformationStructural formula
Name Thalmelatine
(+)-Thalmelatine
Formula C40H46N2O8
Mw 682.32541646
CAS RN 5308-77-0
C_ID C00029113 ,
InChIKey XNEFHBQMDWILRU-IMDSDXEONA-N
InChICode InChI=1S/C40H46N2O8/c1-41-11-9-22-15-32(44-3)30(43)19-26(22)28(41)14-25-18-33(45-4)35(47-6)21-31(25)50-36-17-24-13-29-38-23(10-12-42(29)2)16-37(48-7)40(49-8)39(38)27(24)20-34(36)46-5/h15-21,28-29,43H,9-14H2,1-8H3/t28-,29-/m0/s1
SMILES c12c(C[C@H]3c4c1c(c(cc4CCN3C)OC)OC)cc(c(c2)OC)Oc1cc(c(cc1C[C@@H]1N(CCc2c1cc(c(c2)OC)O)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum foetidum Ref.
PlantaeRanunculaceaeThalictrum minus Ref.
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