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CHEBI:167700 - Ellagic acid pentoside

ChEBI IDCHEBI:167700
ChEBI NameEllagic acid pentoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H14O12
Net Charge0
Average Mass434.309
Monoisotopic Mass434.04853
SMILESO=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23
InChIInChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19+/m1/s1
InChIKeyKNURQRIPZJJYQO-PJIMMEPBSA-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 pentoside (CHEBI:167700) is a tannin (CHEBI:26848)
IUPAC Name 
6,7,14-trihydroxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-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
Manual XrefsDatabases
4589377ChemSpider
Registry NumbersSources
CAS:139163-18-1ChemIDplus