input word = C00053473

Metabolite InformationStructural formula
Name Meliosmoside D
Formula C56H88O25
Mw 1160.56146836
CAS RN 1639330-24-7
C_ID C00053473
InChIKey WIGWRIXTSPMWOV-NLWNNSMFSA-N
InChICode InChI=1S/C56H88O25/c1-24-9-14-55(50(70)81-48-41(67)38(64)35(61)29(77-48)20-73-45-39(65)36(62)30(21-74-45)78-49-44(69)56(71,22-58)23-75-49)16-15-53(5)25(26(55)17-24)7-8-32-52(4)12-11-33(51(2,3)31(52)10-13-54(32,53)6)79-46-42(68)43(27(59)19-72-46)80-47-40(66)37(63)34(60)28(18-57)76-47/h7,26-49,57-69,71H,1,8-23H2,2-6H3/t26-,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]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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.