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CHEBI:167839 - 6-O-methylscutellarin

ChEBI IDCHEBI:167839
ChEBI Name6-O-methylscutellarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O12
Net Charge0
Average Mass476.390
Monoisotopic Mass476.09548
SMILESCOc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O
InChIInChI=1S/C22H20O12/c1-31-19-13(33-22-18(28)16(26)17(27)20(34-22)21(29)30)7-12-14(15(19)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,16-18,20,22-23,25-28H,1H3,(H,29,30)/t16-,17-,18+,20-,22+/m0/s1
InChIKeyGVEZRDBRYNJUDQ-QSUZLTIMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
6-O-methylscutellarin (CHEBI:167839) is a flavonoids (CHEBI:72544)
6-O-methylscutellarin (CHEBI:167839) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
21542558ChemSpider