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CHEBI:172773 - 6''-O-Galloylquercimeritrin

ChEBI IDCHEBI:172773
ChEBI Name6''-O-Galloylquercimeritrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O16
Net Charge0
Average Mass616.484
Monoisotopic Mass616.10643
SMILESO=C(OCC1OC(Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C28H24O16/c29-12-2-1-9(3-13(12)30)26-24(38)22(36)19-14(31)6-11(7-17(19)43-26)42-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-15(32)20(34)16(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2
InChIKeyUSBMLXYFQKQZDJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
6''-O-Galloylquercimeritrin (CHEBI:172773) is a flavonoids (CHEBI:72544)
6''-O-Galloylquercimeritrin (CHEBI:172773) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0033593HMDB