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CHEBI:184795 - Scutellarein 6,7-dimethyl ether 4'-glucuronide

ChEBI IDCHEBI:184795
ChEBI NameScutellarein 6,7-dimethyl ether 4'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O12
Net Charge0
Average Mass490.417
Monoisotopic Mass490.11113
SMILESCOc1cc2oc(-c3ccc(O[C@@H]4OC(C(=O)O)[C@@H](O)C(O)C4O)cc3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H22O12/c1-31-14-8-13-15(16(25)20(14)32-2)11(24)7-12(34-13)9-3-5-10(6-4-9)33-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17?,18-,19?,21?,23+/m0/s1
InChIKeyFAKLXTCIXLJJOQ-YEGQGFLPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Scutellarein 6,7-dimethyl ether 4'-glucuronide (CHEBI:184795) is a flavonoids (CHEBI:72544)
Scutellarein 6,7-dimethyl ether 4'-glucuronide (CHEBI:184795) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
(3S,6S)-3,4,5-trihydroxy-6-[4-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12111137LIPID MAPS
24844072ChemSpider