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Mrv2104 02212310082D

16 16  0  0  0  0            999 V2000
    0.0000    0.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.7949    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    2.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    2.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  9 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 14  2  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

PHUB002618 Score: 1.0		Perillic acid sulfate metabolite	C₁₀H₁₄O₅S Mono mass: 246.056194725