input word = C00026508

Metabolite InformationStructural formula
Name Lolicine B
Formula C38H51NO6
Mw 617.37163837
CAS RN 201214-58-6
C_ID C00026508 ,
InChIKey PEJCOIYIVMELDV-QIOVYPRJNA-N
InChICode InChI=1S/C38H51NO6/c1-33(2,43)28-17-26(41)38(18-40)25-12-9-19-15-22-29-21-16-23-30(35(5,6)45-34(23,3)4)31(42)20(21)10-11-24(29)39-32(22)37(19,8)36(25,7)14-13-27(38)44-28/h10-11,18-19,23,25-28,30,39,41,43H,9,12-17H2,1-8H3/t19-,23+,25+,26+,27-,28-,30-,36-,37+,38+/m0/s1
SMILES CC(C)(O)[C@@H]1C[C@@H](O)[C@]2(C=O)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccc6c(c45)C[C@@H]4[C@@H](C6=O)C(C)(C)OC4(C)C)[C@@]23C)O1
Start Substs in Alk. Biosynthesis (Prediction) Indole-3 GGPP
Organism
Kingdom Family Species Reference
PlantaePoaceaeLolium perenne Ref.
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OrganismLolium perenne
ReferenceMunday-Finch,J.Agric.Food Chem.,46,(1998),590