input word = C00039950

Metabolite InformationStructural formula
Name Perennisoside VII
(+)-Perennisoside VII
Formula C58H92O26
Mw 1204.58768311
CAS RN 1020560-31-9
C_ID C00039950 ,
InChIKey FPUHPXSPVPXVGB-KYFUULELNA-N
InChICode InChI=1S/C58H92O26/c1-24-35(64)39(68)42(71)48(77-24)82-46-45(81-49-43(72)40(69)36(65)30(20-59)78-49)38(67)32(22-75-25(2)61)80-51(46)84-52(74)58-16-14-53(4,5)18-28(58)27-10-11-34-54(6)19-29(63)47(83-50-44(73)41(70)37(66)31(21-60)79-50)55(7,23-76-26(3)62)33(54)12-13-57(34,9)56(27,8)15-17-58/h10,24,28-51,59-60,63-73H,11-23H2,1-9H3/t24-,28-,29-,30+,31+,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,43+,44+,45-,46+,47-,48-,49-,50-,51-,54+,55-,56+,57+,58-/m0/s1
SMILES CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBellis perennis Ref.
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OrganismBellis perennis
ReferenceMorikawa,J.Nat.Prod.,71,(2008),828