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CHEBI:191955 - 7-Galloylcatechin

ChEBI IDCHEBI:191955
ChEBI Name7-Galloylcatechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H18O10
Net Charge0
Average Mass442.376
Monoisotopic Mass442.09000
SMILESO=C(Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2
InChIKeyWKIHBIBUCQPPBY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
7-Galloylcatechin (CHEBI:191955) is a catechin (CHEBI:23053)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
HMDB0037947HMDB
35014492ChemSpider