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CHEBI:167699 - Ellagic acid di-hexoside

ChEBI IDCHEBI:167699
ChEBI NameEllagic acid di-hexoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O18
Net Charge0
Average Mass626.476
Monoisotopic Mass626.11191
SMILESO=c1oc2c(O)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChIInChI=1S/C26H26O18/c27-3-9-14(30)17(33)19(35)25(41-9)39-4-10-15(31)18(34)20(36)26(42-10)40-8-2-6-12-11-5(23(37)44-22(12)16(8)32)1-7(28)13(29)21(11)43-24(6)38/h1-2,9-10,14-15,17-20,25-36H,3-4H2/t9-,10-,14-,15-,17+,18+,19-,20-,25-,26-/m1/s1
InChIKeyFHIYBTOOLROABN-YMLQNWNPSA-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 di-hexoside (CHEBI:167699) is a tannin (CHEBI:26848)
IUPAC Name 
6,7,14-trihydroxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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