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CHEBI:185564 - [5,6,7-trihydroxy-4-oxo-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid

ChEBI IDCHEBI:185564
ChEBI Name[5,6,7-trihydroxy-4-oxo-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O12S
Net Charge0
Average Mass416.316
Monoisotopic Mass416.00495
SMILESO=C1c2c(cc(O)c(O)c2O)OC(c2ccc(O)c(O)c2O)C1OS(=O)(=O)O
InChIInChI=1S/C15H12O12S/c16-5-2-1-4(9(18)10(5)19)14-15(27-28(23,24)25)13(22)8-7(26-14)3-6(17)11(20)12(8)21/h1-3,14-21H,(H,23,24,25)
InChIKeyLHZVAHDQQLMXHF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[5,6,7-trihydroxy-4-oxo-2-(2,3,4-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid (CHEBI:185564) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,6,7-trihydroxy-4-oxo-2-(2,3,4-trihydroxyphenyl)-2,3-dihydrochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
74852600ChemSpider
HMDB0129484HMDB