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CHEBI:191907 - ({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid

ChEBI IDCHEBI:191907
ChEBI Name({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O15S
Net Charge0
Average Mass548.475
Monoisotopic Mass548.08359
SMILESO=S(=O)(O)OCC1OC(c2c(O)cc(O)c3c2OC(c2cc(O)c(O)cc2O)C(O)C3)C(O)C(O)C1O
InChIInChI=1S/C21H24O15S/c22-8-3-11(25)10(24)1-6(8)19-13(27)2-7-9(23)4-12(26)15(20(7)36-19)21-18(30)17(29)16(28)14(35-21)5-34-37(31,32)33/h1,3-4,13-14,16-19,21-30H,2,5H2,(H,31,32,33)
InChIKeyBJSXIEOPHMXYMA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS4638)
ChEBI Ontology
Outgoing Relation(s)
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid (CHEBI:191907) is a C-glycosyl compound (CHEBI:20857)
({3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxan-2-yl}methoxy)sulfonic acid (CHEBI:191907) is a flavonoids (CHEBI:72544)
IUPAC Name 
[3,4,5-trihydroxy-6-[3,5,7-trihydroxy-2-(2,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]oxan-2-yl]methyl hydrogen sulate