input word = C00027596

Metabolite InformationStructural formula
Name Thalrugosinone
Formula C39H42N2O8
Mw 666.29411633
CAS RN 73609-02-6
C_ID C00027596 ,
InChIKey BIILLLVYACXZTR-REMWNZQGNA-N
InChICode InChI=1S/C39H42N2O8/c1-40-15-14-27-28-21-34(45-4)37(46-5)36(27)49-39-35-25(20-33(44-3)38(39)47-6)13-16-41(22-42)30(35)18-24-9-12-31(43-2)32(19-24)48-26-10-7-23(8-11-26)17-29(28)40/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
SMILES c1c2c3c(c(c1OC)OC)Oc1c(c(cc4c1CCN([C@H]4Cc1ccc(Oc4c(ccc(C[C@@H]3N(CC2)C=O)c4)OC)cc1)C)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeLauraceaeDehaasia triandra Ref.
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OrganismDehaasia triandra
ReferenceLee,Tetrahedron,52,(1996),6561