EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189905 - 6-(3-carboxy-2,4,6-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:189905
ChEBI Name6-(3-carboxy-2,4,6-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O12
Net Charge0
Average Mass362.243
Monoisotopic Mass362.04853
SMILESO=C(O)c1c(O)cc(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1O
InChIInChI=1S/C13H14O12/c14-2-1-3(15)9(5(16)4(2)11(20)21)24-13-8(19)6(17)7(18)10(25-13)12(22)23/h1,6-8,10,13-19H,(H,20,21)(H,22,23)
InChIKeyQLKQBJBECIDMRS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
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)
6-(3-carboxy-2,4,6-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:189905) is a tannin (CHEBI:26848)
IUPAC Name 
6-(3-carboxy-2,4,6-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130446HMDB