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CHEBI:167701 - Ellagic acid deoxyhexoside

ChEBI IDCHEBI:167701
ChEBI NameEllagic acid deoxyhexoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O12
Net Charge0
Average Mass448.336
Monoisotopic Mass448.06418
SMILESC[C@@H]1O[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c45)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C20H16O12/c1-4-11(22)14(25)15(26)20(29-4)30-8-3-6-10-9-5(18(27)32-17(10)13(8)24)2-7(21)12(23)16(9)31-19(6)28/h2-4,11,14-15,20-26H,1H3/t4-,11-,14+,15+,20-/m0/s1
InChIKeyNLOYJHDXNPMFKW-RGYXEVLJSA-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 deoxyhexoside (CHEBI:167701) is a tannin (CHEBI:26848)
IUPAC Name 
6,7,14-trihydroxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-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
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8202227ChemSpider