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CHEBI:190973 - 2''-galloylhyperin

ChEBI IDCHEBI:190973
ChEBI Name2''-galloylhyperin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O16
Net Charge0
Average Mass616.484
Monoisotopic Mass616.10643
SMILESO=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1
InChIKeyPXGWEUQZDRUMRE-UNZYZCBSSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
2''-galloylhyperin (CHEBI:190973) is a flavonoids (CHEBI:72544)
2''-galloylhyperin (CHEBI:190973) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
4955742ChemSpider
Registry NumbersSources
CAS:53209-27-1ChemIDplus