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CHEBI:185072 - [4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid

ChEBI IDCHEBI:185072
ChEBI Name[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O9S
Net Charge0
Average Mass408.384
Monoisotopic Mass408.05150
SMILESCOc1cc(-c2coc3c(C)c(OC)cc(O)c3c2=O)ccc1OS(=O)(=O)O
InChIInChI=1S/C18H16O9S/c1-9-14(24-2)7-12(19)16-17(20)11(8-26-18(9)16)10-4-5-13(15(6-10)25-3)27-28(21,22)23/h4-8,19H,1-3H3,(H,21,22,23)
InChIKeyCITXKNZSNQXZFV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxo-4H-chromen-3-yl)-2-methoxyphenyl]oxidanesulfonic acid (CHEBI:185072) is a methoxyisoflavone (CHEBI:38756)
IUPAC Name 
[4-(5-hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methoxyphenyl] hydrogen sulate
Manual XrefsDatabases
74852611ChemSpider
HMDB0129590HMDB