Cotinineglucuronide (Q2029)

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chemical compound
Language Label Description Also known as
English
Cotinineglucuronide
chemical compound

    Statements

    SMILES
    O1[C@H](C([O-])=O)[C@H]([C@H](O)[C@@H](O)[C@@H]1O3)O.CN1C(CCC1=O)C1=C[N+](=CC=C1)3
    0 references
    chemical formula
    C₁₆H₂₀N₂O₈
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C16H20N2O8/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)26-16-13(22)11(20)12(21)14(25-16)15(23)24/h2-3,6-7,9,11-14,16,20-22H,4-5H2,1H3/t9?,11-,12-,13+,14-,16-/m0/s1
    1 reference
    based on heuristic
    inferred from SMILES
     
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