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CHEBI:180888 - 3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-4,5-dihydroxybenzoic acid

Default Structure
ChEBI IDCHEBI:180888
ChEBI Name3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-4,5-dihydroxybenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O16S
Net Charge0
Average Mass554.394
Monoisotopic Mass554.00026
SMILESO=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(OS(=O)(=O)O)c(O)c3)c2)c1
InChIInChI=1S/C21H14O16S/c22-10-1-7(19(28)29)5-14(16(10)26)35-21(31)9-2-11(23)17(27)15(6-9)36-20(30)8-3-12(24)18(13(25)4-8)37-38(32,33)34/h1-6,22-27H,(H,28,29)(H,32,33,34)
InChIKeyAKDVXNURLURCNM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
3-{3-[3,5-dihydroxy-4-(sulfooxy)benzoyloxy]-4,5-dihydroxybenzoyloxy}-4,5-dihydroxybenzoic acid (CHEBI:180888) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-[3-(3,5-dihydroxy-4-sulooxybenzoyl)oxy-4,5-dihydroxybenzoyl]oxy-4,5-dihydroxybenzoic acid
Manual XrefsDatabases
74852163ChemSpider
HMDB0128320HMDB