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CHEBI:184664 - 3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid

Default Structure
ChEBI IDCHEBI:184664
ChEBI Name3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O13
Net Charge0
Average Mass474.330
Monoisotopic Mass474.04344
SMILESO=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1
InChIInChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
InChIKeyQUXNYZHQBWMPNX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid (CHEBI:184664) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy-4,5-dihydroxybenzoic acid
Manual XrefsDatabases
30776834ChemSpider
HMDB0030559HMDB