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CHEBI:184963 - Isorhamnetin 3-(2''-acetylglucoside)

ChEBI IDCHEBI:184963
ChEBI NameIsorhamnetin 3-(2''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O13
Net Charge0
Average Mass520.443
Monoisotopic Mass520.12169
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2OC(C)=O)ccc1O
InChIInChI=1S/C24H24O13/c1-9(26)34-23-20(32)18(30)16(8-25)36-24(23)37-22-19(31)17-13(29)6-11(27)7-15(17)35-21(22)10-3-4-12(28)14(5-10)33-2/h3-7,16,18,20,23-25,27-30,32H,8H2,1-2H3/t16?,18-,20?,23-,24+/m1/s1
InChIKeyORAIMDQSZIUQPL-ALPYMALBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isorhamnetin 3-(2''-acetylglucoside) (CHEBI:184963) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-(2''-acetylglucoside) (CHEBI:184963) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,5S)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
Manual XrefsDatabases
24845056ChemSpider
LMPK12112361LIPID MAPS