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CHEBI:177116 - [2-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid

ChEBI IDCHEBI:177116
ChEBI Name[2-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O12S
Net Charge0
Average Mass498.462
Monoisotopic Mass498.08320
SMILESO=C1CC(c2ccccc2)Oc2c1c(O)cc(O)c2C1OC(CO)C(O)C(OS(=O)(=O)O)C1O
InChIInChI=1S/C21H22O12S/c22-8-14-17(26)21(33-34(28,29)30)18(27)20(32-14)16-11(24)6-10(23)15-12(25)7-13(31-19(15)16)9-4-2-1-3-5-9/h1-6,13-14,17-18,20-24,26-27H,7-8H2,(H,28,29,30)
InChIKeyRIYRTMARSYTXNY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos grunniens (ncbitaxon:30521) subcutaneous adipose tissue (BTO:0004042) Article
ChEBI Ontology
Outgoing Relation(s)
[2-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid (CHEBI:177116) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-(5,7-dihydroxy-4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate
Manual XrefsDatabases
HMDB0124788HMDB