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CHEBI:167702 - Ellagic acid hexoside

ChEBI IDCHEBI:167702
ChEBI NameEllagic acid hexoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O13
Net Charge0
Average Mass464.335
Monoisotopic Mass464.05909
SMILESO=c1oc2c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChIInChI=1S/C20H16O13/c21-3-8-12(24)14(26)15(27)20(31-8)30-7-2-5-10-9-4(18(28)33-17(10)13(7)25)1-6(22)11(23)16(9)32-19(5)29/h1-2,8,12,14-15,20-27H,3H2/t8-,12-,14+,15-,20-/m1/s1
InChIKeyDOPSJTNYZLQUNU-XQKIPRNGSA-N
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
Ellagic acid hexoside (CHEBI:167702) is a tannin (CHEBI:26848)
IUPAC Name 
6,7,14-trihydroxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione