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CHEBI:189020 - 3-hydroxy-4-(sulfooxy)-5-(2,3,4,5-tetrahydroxybenzoyloxy)benzoic acid

Default Structure
ChEBI IDCHEBI:189020
ChEBI Name3-hydroxy-4-(sulfooxy)-5-(2,3,4,5-tetrahydroxybenzoyloxy)benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H10O13S
Net Charge0
Average Mass418.288
Monoisotopic Mass417.98421
SMILESO=C(O)c1cc(O)c(OS(=O)(=O)O)c(OC(=O)c2cc(O)c(O)c(O)c2O)c1
InChIInChI=1S/C14H10O13S/c15-6-3-5(9(17)11(19)10(6)18)14(22)26-8-2-4(13(20)21)1-7(16)12(8)27-28(23,24)25/h1-3,15-19H,(H,20,21)(H,23,24,25)
InChIKeyCTVDHZDJDNSIRH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-4-(sulfooxy)-5-(2,3,4,5-tetrahydroxybenzoyloxy)benzoic acid (CHEBI:189020) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3-hydroxy-4-sulooxy-5-(2,3,4,5-tetrahydroxybenzoyl)oxybenzoic acid
Manual XrefsDatabases
74852191ChemSpider
HMDB0128391HMDB