EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193512 - {3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium

ChEBI IDCHEBI:193512
ChEBI Name{3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium
Stars
Submittermwilliams
DownloadsMolfile
FormulaC15H11O8S
Net Charge+1
Average Mass351.312
Monoisotopic Mass351.01691
SMILESO=c1cc([OH2+])cc2oc(-c3cccc(OS(=O)(=O)O)c3)c(O)cc1-2
InChIInChI=1S/C15H10O8S/c16-9-5-12(17)11-7-13(18)15(22-14(11)6-9)8-2-1-3-10(4-8)23-24(19,20)21/h1-7,16,18H,(H,19,20,21)/p+1
InChIKeyAJGRDPFYUIBMJR-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
{3-hydroxy-5-oxo-2-[3-(sulfooxy)phenyl]-5H-chromen-7-yl}oxidanium (CHEBI:193512) is a hydroxyflavonoid (CHEBI:71968)