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Mrv2104 06072104342D

24 25  0  0  0  0            999 V2000
    2.4751   -1.9630    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.1379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    0.5120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0772    1.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -2.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001   -1.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3992   -0.9769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7190    2.0894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3992    0.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6555    1.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6185   -0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8806   -0.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4628    1.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040    0.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9040   -1.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1894   -0.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5263    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7826    3.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5580   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    2.4702    0.0000 H   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
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2 19  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 20  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  9 15  1  0  0  0  0
  9 20  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 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 — 2 of approximately 2 results

PHUB001884 Score: 1.0		6-Sulfatoxymelatonin 2208-40-4 metabolite	C₁₃H₁₆N₂O₆S Mono mass: 328.072907417
PHUB001644 Score: 0.782		Melatonin 73-31-4 precursor	C₁₃H₁₆N₂O₂ Mono mass: 232.121177763