CHEBI:167701 - Ellagic acid deoxyhexoside

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ChEBI Name Ellagic acid deoxyhexoside
ChEBI ID CHEBI:167701
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H16O12
Net Charge 0
Average Mass 448.336
Monoisotopic Mass 448.06418
InChI InChI=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
InChIKey NLOYJHDXNPMFKW-RGYXEVLJSA-N
SMILES O=C1OC2=C(O)C(O)=CC3=C2C4=C1C=C(O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)O)C)C(=C4OC3=O)O
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
8202227 ChemSpider
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