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

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ChEBI Name (2R,3R,4R,5S)-6-{[3-(4-chlorophenyl)-4-hydroxybutanoyl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:143336
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C16H19ClO9
Net Charge 0
Average Mass 390.770
Monoisotopic Mass 390.072
InChI InChI=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
InChIKey VZFWAVSQHPALMK-GPZNEMSPSA-N
SMILES ClC1=CC=C([C@H](CO)CC(=O)OC2O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]2O)O)C=C1
ChEBI Ontology
Outgoing (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)