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CHEBI:184682 - [5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid

ChEBI IDCHEBI:184682
ChEBI Name[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O9S
Net Charge0
Average Mass368.319
Monoisotopic Mass368.02020
SMILESO=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1OS(=O)(=O)O
InChIInChI=1S/C15H12O9S/c16-8-3-1-7(2-4-8)14-15(24-25(20,21)22)13(19)12-10(18)5-9(17)6-11(12)23-14/h1-6,14-18H,(H,20,21,22)
InChIKeyZHEHDHBBJQVQTB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid (CHEBI:184682) is a flavonoids (CHEBI:72544)
IUPAC Name 
[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0125396HMDB
74851701ChemSpider