input word = C00049162

Metabolite InformationStructural formula
Name Fraxicarboside B
Formula C34H38O17
Mw 718.21089979
CAS RN 209851-35-4
C_ID C00049162 ,
InChIKey VXKXMAPMMYGLJE-DUGOMHRDNA-N
InChICode InChI=1S/C34H38O17/c1-46-32(45)21-15-49-33(19(8-10-35)20(21)14-28(41)47-11-9-18-3-6-23(37)25(39)13-18)51-34-31(44)30(43)29(42)26(50-34)16-48-27(40)7-4-17-2-5-22(36)24(38)12-17/h2-8,12-13,15,20,26,29-31,33-39,42-44H,9-11,14,16H2,1H3/b7-4+,19-8+/t20-,26+,29+,30-,31+,33-,34-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/CO)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeFraxinus oxycarba Ref.
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