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CHEBI:184530 - Acacetin 7-(6''-methylglucuronide)

ChEBI IDCHEBI:184530
ChEBI NameAcacetin 7-(6''-methylglucuronide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O11
Net Charge0
Average Mass474.418
Monoisotopic Mass474.11621
SMILESCOC(=O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(OC)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22O11/c1-30-11-5-3-10(4-6-11)15-9-14(25)17-13(24)7-12(8-16(17)33-15)32-23-20(28)18(26)19(27)21(34-23)22(29)31-2/h3-9,18-21,23-24,26-28H,1-2H3/t18-,19-,20?,21?,23+/m0/s1
InChIKeyNCDRCVIENURMRZ-GHZYCHRDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Acacetin 7-(6''-methylglucuronide) (CHEBI:184530) is a flavonoids (CHEBI:72544)
Acacetin 7-(6''-methylglucuronide) (CHEBI:184530) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
methyl (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Manual XrefsDatabases
24843487ChemSpider
LMPK12110448LIPID MAPS