input word = C00040819

Metabolite InformationStructural formula
Name 3-Hydroxy-6'-desmethyl-9-O-methylthalifaboramine
Formula C39H44N2O8
Mw 668.3097664
CAS RN 227004-10-6
C_ID C00040819 ,
InChIKey TUVJHVFGUYHZJS-IMDSDXEONA-N
InChICode InChI=1S/C39H44N2O8/c1-40-14-12-22-17-30(42)31(44-3)19-25(22)28(40)16-21-8-10-23(11-9-21)49-36-27-18-29-33-24(13-15-41(29)2)35(43)39(48-7)38(47-6)34(33)26(27)20-32(45-4)37(36)46-5/h8-11,17,19-20,28-29,42-43H,12-16,18H2,1-7H3/t28-,29-/m0/s1
SMILES c12c(C[C@H]3c4c1c(c(c(c4CCN3C)O)OC)OC)c(c(c(c2)OC)OC)Oc1ccc(cc1)C[C@H]1c2c(CCN1C)cc(c(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum faberi Ref.
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