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CHEBI:229885 - 8-hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate

Default Structure
ChEBI IDCHEBI:229885
ChEBI Name8-hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O15S
Net Charge0
Average Mass558.470
Monoisotopic Mass558.06794
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c3o2)cc1OS(=O)(=O)O
InChIInChI=1S/C22H22O15S/c1-33-12-3-2-8(4-14(12)37-38(30,31)32)13-6-10(25)16-9(24)5-11(26)20(21(16)34-13)36-22-19(29)18(28)17(27)15(7-23)35-22/h2-6,15,17-19,22-24,26-29H,7H2,1H3,(H,30,31,32)/t15?,17-,18+,19?,22+/m1/s1
InChIKeyHUTZNOYDOCPVOR-UBLCHDLUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
8-hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate (CHEBI:229885) is a flavonoids (CHEBI:72544)
8-hydroxyluteolin 4'-methyl ether 8-glucoside-3'-sulfate (CHEBI:229885) is a glycoside (CHEBI:24400)
IUPAC Name 
[5-[5,7-dihydroxy-4-oxo-8-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-yl]-2-methoxyphenyl] hydrogen sulate
Manual XrefsDatabases
24844254ChemSpider
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