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CHEBI:229816 - robinetinidol 3-o-gallate

ChEBI IDCHEBI:229816
ChEBI Namerobinetinidol 3-o-gallate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O10
Net Charge0
Average Mass442.376
Monoisotopic Mass442.09000
SMILESO=C(O[C@H]1Cc2ccc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C22H18O10/c23-12-2-1-9-7-18(32-22(30)11-5-15(26)20(29)16(27)6-11)21(31-17(9)8-12)10-3-13(24)19(28)14(25)4-10/h1-6,8,18,21,23-29H,7H2/t18-,21+/m0/s1
InChIKeyWIEMUOLZHSVGFK-GHTZIAJQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
robinetinidol 3-o-gallate (CHEBI:229816) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
[(2R,3S)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
24842502ChemSpider
LMPK12020019LIPID MAPS