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CHEBI:143308 - (2R,3R,4R,5S)-6-({2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[(4-methanesulfinylphenyl)methylidene]inden-1-yl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:143308
ChEBI Name(2R,3R,4R,5S)-6-({2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[(4-methanesulfinylphenyl)methylidene]inden-1-yl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
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Submittermwilliams
DownloadsMolfile
FormulaC26H25FO10S
Net Charge0
Average Mass548.541
Monoisotopic Mass548.11525
SMILESCS(=O)c1ccc(/C=C2/C(CO)=C(CC(=O)OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c3cc(F)ccc32)cc1
InChIInChI=1S/C26H25FO10S/c1-38(35)14-5-2-12(3-6-14)8-16-15-7-4-13(27)9-17(15)18(19(16)11-28)10-20(29)36-26-23(32)21(30)22(31)24(37-26)25(33)34/h2-9,21-24,26,28,30-32H,10-11H2,1H3,(H,33,34)/b16-8+/t21-,22-,23+,24-,26?,38?/m0/s1
InChIKeyDRQCEMNCLABGIH-DYGTULSWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S)-6-({2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[(4-methanesulfinylphenyl)methylidene]inden-1-yl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143308) is a glucosiduronic acid (CHEBI:24302)