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CHEBI:169458 - 6-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:169458
ChEBI Name6-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O15
Net Charge0
Average Mass498.349
Monoisotopic Mass498.06457
SMILESO=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)c1
InChIInChI=1S/C20H18O15/c21-7-1-5(17(28)29)4-10(11(7)24)33-19(32)6-2-8(22)15(9(23)3-6)34-20-14(27)12(25)13(26)16(35-20)18(30)31/h1-4,12-14,16,20-27H,(H,28,29)(H,30,31)
InChIKeyHUQDXJPMUFXASW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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-{4-[(5-carboxy-2,3-dihydroxyphenoxy)carbonyl]-2,6-dihydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:169458) is a tannin (CHEBI:26848)
IUPAC Name 
6-[4-(5-carboxy-2,3-dihydroxyphenoxy)carbonyl-2,6-dihydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128327HMDB