1-Hydroxypyrene Beta-D-Glucuronide

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CATAPS154717052
CAS154717-05-2
Structure
Synonyms1-Hydroxy-pyrene-glucuronide
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-pyren-1-yloxyoxane-2-carboxylic acid
Molecular Weight394.37
Molecular FormulaC22H18O7
Canonical SMILESO[C@H]1[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C22H18O7/c23-17-18(24)20(21(26)27)29-22(19(17)25)28-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17-20,22-25H,(H,26,27)/t17-,18-,19+,20-,22+/m0/s1
Accurate Mass394.1053
FormatNeat
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