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CHEBI:184493 - Apigenin 7-(2''-acetylglucoside)

ChEBI IDCHEBI:184493
ChEBI NameApigenin 7-(2''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O11
Net Charge0
Average Mass474.418
Monoisotopic Mass474.11621
SMILESCC(=O)OC1[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)OC(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C23H22O11/c1-10(25)31-22-21(30)20(29)18(9-24)34-23(22)32-13-6-14(27)19-15(28)8-16(33-17(19)7-13)11-2-4-12(26)5-3-11/h2-8,18,20-24,26-27,29-30H,9H2,1H3/t18?,20-,21+,22?,23-/m1/s1
InChIKeyLGPATLKJAZAUNQ-ZLXZQHNHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-(2''-acetylglucoside) (CHEBI:184493) is a flavonoids (CHEBI:72544)
Apigenin 7-(2''-acetylglucoside) (CHEBI:184493) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,4S,5S)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl] acetate
Manual XrefsDatabases
24843428ChemSpider
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