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CHEBI:176362 - [4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid

ChEBI IDCHEBI:176362
ChEBI Name[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O6S
Net Charge0
Average Mass322.338
Monoisotopic Mass322.05111
SMILESO=S(=O)(O)Oc1ccc(C2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C15H14O6S/c16-13-4-1-11-7-12(9-20-15(11)8-13)10-2-5-14(6-3-10)21-22(17,18)19/h1-6,8,12,16H,7,9H2,(H,17,18,19)
InChIKeyUXOJWGSGKUYMIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid (CHEBI:176362) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
[4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
HMDB0141213HMDB
23936050ChemSpider