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CHEBI:193318 - (5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid

ChEBI IDCHEBI:193318
ChEBI Name(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O7S
Net Charge0
Average Mass304.320
Monoisotopic Mass304.06167
SMILESCOc1cc(O)c2c(c1)OC(C)(C)CC2OS(=O)(=O)O
InChIInChI=1S/C12H16O7S/c1-12(2)6-10(19-20(14,15)16)11-8(13)4-7(17-3)5-9(11)18-12/h4-5,10,13H,6H2,1-3H3,(H,14,15,16)
InChIKeyQFHUWJGJGFFWOS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)oxidanesulfonic acid (CHEBI:193318) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(5-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) hydrogen sulate
Manual XrefsDatabases
74851765ChemSpider