EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185615 - [4-(7-hydroxy-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:185615
ChEBI Name[4-(7-hydroxy-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8S
Net Charge0
Average Mass366.347
Monoisotopic Mass366.04094
SMILESCOc1c(O)ccc2c1OC(c1ccc(OS(=O)(=O)O)cc1)CC2=O
InChIInChI=1S/C16H14O8S/c1-22-16-12(17)7-6-11-13(18)8-14(23-15(11)16)9-2-4-10(5-3-9)24-25(19,20)21/h2-7,14,17H,8H2,1H3,(H,19,20,21)
InChIKeyHHCJXCFJAGEHQU-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)
[4-(7-hydroxy-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:185615) is a ether (CHEBI:25698)
[4-(7-hydroxy-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid (CHEBI:185615) is a flavonoids (CHEBI:72544)
IUPAC Name 
[4-(7-hydroxy-8-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
74853256ChemSpider
HMDB0133292HMDB