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 COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)N(C)CC4)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum faberi Ref.
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