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trans-3'-Hydroxy Cotinine O-Beta-D-Glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS132929885
CAS132929-88-5
Structure
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidin-3-yl]oxyoxane-2-carboxylic acid
Molecular Weight368.34
Molecular FormulaC16H20N2O8
Canonical SMILESCN1[C@@H]([C@H](CC1=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c3cccnc3
InChIInChI=1S/C16H20N2O8/c1-18-9(19)5-8(10(18)7-3-2-4-17-6-7)25-16-13(22)11(20)12(21)14(26-16)15(23)24/h2-4,6,8,10-14,16,20-22H,5H2,1H3,(H,23,24)/t8-,10+,11-,12-,13+,14-,16+/m0/s1
Accurate Mass368.122
FormatNeat
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