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CHEBI:191984 - 3'-Methoxytricetin 7-glucuronide

ChEBI IDCHEBI:191984
ChEBI Name3'-Methoxytricetin 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O13
Net Charge0
Average Mass492.389
Monoisotopic Mass492.09039
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc3o2)cc(O)c1O
InChIInChI=1S/C22H20O13/c1-32-14-3-7(2-11(25)16(14)26)12-6-10(24)15-9(23)4-8(5-13(15)34-12)33-22-19(29)17(27)18(28)20(35-22)21(30)31/h2-6,17-20,22-23,25-29H,1H3,(H,30,31)
InChIKeyVIYRBNJECSXYSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
3'-Methoxytricetin 7-glucuronide (CHEBI:191984) is a flavonoids (CHEBI:72544)
3'-Methoxytricetin 7-glucuronide (CHEBI:191984) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0039904HMDB