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Mrv2104 05032309572D

24 25  0  0  0  0            999 V2000
   19.5840  -11.0570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9020  -10.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9020   -9.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2661   -9.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2661  -10.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2199  -11.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5378  -10.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2200   -9.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5379   -9.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9806   -9.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6951   -9.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4097   -9.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1242   -9.8757    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.4097   -8.6381    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.8387   -9.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5533   -9.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2679   -9.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5533  -10.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2679  -11.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9824  -10.7008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2679  -11.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2679   -8.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5533   -8.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9824   -8.2255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 18 19  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 17 22  1  0  0  0  0
M  END

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(+)-Catechin
  Mrv1572001071604202D

21 23  0  0  1  0            999 V2000
    2.0414   -2.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -2.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6125   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -2.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -3.4964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2454   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1020   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6125   -1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0414   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559    0.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -0.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848    0.2161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4703   -1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7559   -1.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -1.4339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 13  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 10 11  1  0  0  0  0
  8  7  1  0  0  0  0
  4  5  1  0  0  0  0
M  END

Results 1 — 1 of approximately 1 results

PHUB002871 Score: 1.0		indole-3-methyl-N-acetylcysteine (IMITC-NAC) metabolite	C₁₆H₁₉N₃O₃S₂ Mono mass: 365.086783832