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CHEBI:180730 - 4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid

ChEBI IDCHEBI:180730
ChEBI Name4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O15
Net Charge0
Average Mass506.328
Monoisotopic Mass506.03327
SMILESO=C(O)c1cc(O)c(O)c(O)c1Oc1cc(C(=O)O)c(-c2c(C(=O)O)cc(O)c(O)c2O)c(O)c1O
InChIInChI=1S/C21H14O15/c22-7-1-4(19(30)31)10(15(27)12(7)24)11-5(20(32)33)3-9(14(26)16(11)28)36-18-6(21(34)35)2-8(23)13(25)17(18)29/h1-3,22-29H,(H,30,31)(H,32,33)(H,34,35)
InChIKeyRUOFGJLCWJUJRS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy-[1,1'-biphenyl]-2,2'-dicarboxylic acid (CHEBI:180730) is a tannin (CHEBI:26848)
IUPAC Name 
2-[6-carboxy-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-2,3-dihydroxyphenyl]-3,4,5-trihydroxybenzoic acid
Manual XrefsDatabases
26538333ChemSpider
HMDB0136072HMDB