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CHEBI:185574 - 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide

ChEBI IDCHEBI:185574
ChEBI Name5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O13
Net Charge0
Average Mass506.416
Monoisotopic Mass506.10604
SMILESCOc1cc(O)c2c(=O)cc(-c3c(O)cccc3O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)C(O)C3O)oc2c1OC
InChIInChI=1S/C23H22O13/c1-32-13-7-10(26)14-9(25)6-12(34-20(14)19(13)33-2)15-8(24)4-3-5-11(15)35-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-24,26-29H,1-2H3,(H,30,31)/t16?,17-,18?,21+,23+/m0/s1
InChIKeyMBIYPXWFHDINAY-FDEBGMCYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide (CHEBI:185574) is a ether (CHEBI:25698)
5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-glucuronide (CHEBI:185574) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2R,3S,6S)-3,4,5-trihydroxy-6-[3-hydroxy-2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12111296LIPID MAPS
24844184ChemSpider