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CHEBI:197417 - GL5

ChEBI IDCHEBI:197417
ChEBI NameGL5
Stars
DefinitionDimeric secoiridoid glycoside present in species of the Fraxinus genus
Submitterntejera
DownloadsMolfile
FormulaC42H54O22
Net Charge0
Average Mass910.872
Monoisotopic Mass910.31067
SMILESC/C=C1\C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)Oc1ccc(CCOC(=O)CC2C(C(=O)OC)=CO[C@@H](OC3OC(CO)C(O)C(O)C3O)/C2=C\C)cc1
InChIInChI=1S/C42H54O22/c1-5-21-23(25(37(53)55-3)17-58-39(21)63-41-35(51)33(49)31(47)27(15-43)61-41)13-29(45)57-12-11-19-7-9-20(10-8-19)60-30(46)14-24-22(6-2)40(59-18-26(24)38(54)56-4)64-42-36(52)34(50)32(48)28(16-44)62-42/h5-10,17-18,23-24,27-28,31-36,39-44,47-52H,11-16H2,1-4H3/b21-5-,22-6-/t23?,24?,27?,28?,31?,32?,33?,34?,35?,36?,39-,40?,41?,42?/m0/s1
InChIKeyALDOLERJIYTYDY-UFSKKCJOSA-N
Species of MetaboliteComponentSourceComments
Fraxinus excelsior (ncbitaxon:38873) - DOI (10.1016/j.bse.2004.04.007)
Fraxinus pennsylvanica (ncbitaxon:56036) - DOI (10.3389/ffgc.2023.1166421)
ChEBI Ontology
Outgoing Relation(s)
GL5 (CHEBI:197417) is a secoiridoid glycoside (CHEBI:50274)