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CHEBI:143336 - (2R,3R,4R,5S)-6-{[3-(4-chlorophenyl)-4-hydroxybutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:143336
ChEBI Name(2R,3R,4R,5S)-6-{[3-(4-chlorophenyl)-4-hydroxybutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC16H19ClO9
Net Charge0
Average Mass390.772
Monoisotopic Mass390.07176
SMILESO=C(C[C@@H](CO)c1ccc(Cl)cc1)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H19ClO9/c17-9-3-1-7(2-4-9)8(6-18)5-10(19)25-16-13(22)11(20)12(21)14(26-16)15(23)24/h1-4,8,11-14,16,18,20-22H,5-6H2,(H,23,24)/t8-,11-,12-,13+,14-,16?/m0/s1
InChIKeyVZFWAVSQHPALMK-GPZNEMSPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S)-6-{[3-(4-chlorophenyl)-4-hydroxybutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143336) is a O-acyl carbohydrate (CHEBI:52782)
(2R,3R,4R,5S)-6-{[3-(4-chlorophenyl)-4-hydroxybutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143336) is a monochlorobenzenes (CHEBI:83403)