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CHEBI:185024 - 5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide

ChEBI IDCHEBI:185024
ChEBI Name5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILESCOc1ccccc1-c1cc(=O)c2c(O)cc(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)c(OC)c2o1
InChIInChI=1S/C23H22O12/c1-31-12-6-4-3-5-9(12)13-7-10(24)15-11(25)8-14(19(32-2)20(15)33-13)34-23-18(28)16(26)17(27)21(35-23)22(29)30/h3-8,16-18,21,23,25-28H,1-2H3,(H,29,30)/t16-,17-,18?,21?,23+/m0/s1
InChIKeyOQYSDFZSKXKZQF-XWUNBYSCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide (CHEBI:185024) is a flavonoids (CHEBI:72544)
5,7-Dihydroxy-8,2'-dimethoxyflavone 7-glucuronide (CHEBI:185024) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-8-methoxy-2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
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LMPK12111291LIPID MAPS
24844179ChemSpider