CHEBI:167700 - Ellagic acid pentoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ellagic acid pentoside
ChEBI ID CHEBI:167700
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H14O12
Net Charge 0
Average Mass 434.309
Monoisotopic Mass 434.04853
InChI InChI=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
InChIKey KNURQRIPZJJYQO-PJIMMEPBSA-N
SMILES O=C1OC2=C(O)C(O)=CC3=C2C4=C1C=C(O[C@@H]5OC[C@@H](O)[C@@H]([C@H]5O)O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
4589377 ChemSpider
View more database links
Registry Number Type Source
139163-18-1 CAS Registry Number ChemIDplus