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CHEBI:185194 - {[5-({6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid

ChEBI IDCHEBI:185194
ChEBI Name{[5-({6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O18S
Net Charge0
Average Mass686.597
Monoisotopic Mass686.11529
SMILESCC(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(OC2OCC(O)(COS(=O)(=O)O)C2O)C(O)C1O
InChIInChI=1S/C28H30O18S/c1-12(29)40-9-20-22(33)23(34)24(46-27-25(35)28(36,10-41-27)11-42-47(37,38)39)26(45-20)43-15-6-16(31)21-17(32)8-18(44-19(21)7-15)13-2-4-14(30)5-3-13/h2-8,20,22-27,30-31,33-36H,9-11H2,1H3,(H,37,38,39)
InChIKeyKZFFIXVVHRJFDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{[5-({6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid (CHEBI:185194) is a flavonoids (CHEBI:72544)
{[5-({6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acid (CHEBI:185194) is a glycoside (CHEBI:24400)
IUPAC Name 
[5-[3,4-dihydroxy-4-(sulooxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
HMDB0125355HMDB