input word = C00053474

Metabolite InformationStructural formula
Name Meliosmoside E
Formula C56H88O24
Mw 1144.56655374
CAS RN 1639330-25-8
C_ID C00053474
InChIKey HLDZOGCYMSVRSW-DYIIQSNGSA-N
InChICode InChI=1S/C56H88O24/c1-24-10-15-55(50(69)80-47-42(67)39(64)36(61)29(76-47)20-72-45-40(65)37(62)30(21-73-45)77-49-44(68)56(70,22-57)23-74-49)17-16-53(6)26(27(55)18-24)8-9-32-52(5)13-12-33(51(3,4)31(52)11-14-54(32,53)7)78-48-43(35(60)28(58)19-71-48)79-46-41(66)38(63)34(59)25(2)75-46/h8,25,27-49,57-68,70H,1,9-23H2,2-7H3/t25-,27-,28-,29+,30-,31-,32+,33-,34-,35-,36+,37-,38+,39-,40+,41+,42+,43+,44-,45+,46-,47-,48-,49-,52-,53+,54+,55-,56+/m0/s1
SMILES C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4OC[C@H](O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSabiaceaeMeliosma henryi Ref.
PlantaeSabiaceaeMeliosma sp. Ref.
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OrganismMeliosma henryi
ReferenceMagid, A. A. et al., Phytochemistry, 109, (2015), 49-56.