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CHEBI:184942 - Isorhamnetin 3-(6''-acetylgalactoside)

ChEBI IDCHEBI:184942
ChEBI NameIsorhamnetin 3-(6''-acetylgalactoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O13
Net Charge0
Average Mass520.443
Monoisotopic Mass520.12169
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](COC(C)=O)[C@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C24H24O13/c1-9(25)34-8-16-18(29)20(31)21(32)24(36-16)37-23-19(30)17-13(28)6-11(26)7-15(17)35-22(23)10-3-4-12(27)14(5-10)33-2/h3-7,16,18,20-21,24,26-29,31-32H,8H2,1-2H3/t16-,18+,20?,21?,24-/m1/s1
InChIKeyDSLVJFBJCIYHLK-UHYVLJHSSA-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-(6''-acetylgalactoside) (CHEBI:184942) is a flavonoids (CHEBI:72544)
Isorhamnetin 3-(6''-acetylgalactoside) (CHEBI:184942) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,6R)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
LMPK12112334LIPID MAPS
24845029ChemSpider