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Mrv2104 03162212242D

26 26  0  0  0  0            999 V2000
   -4.7323    0.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7323   -0.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0179   -1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034   -1.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889   -1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889   -0.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8745   -1.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -0.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2689    1.7169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9834    0.4794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979    0.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    0.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124   -0.3456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1267   -0.7581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8413   -0.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8413    0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267   -1.5831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5557    0.8919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5557   -0.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9101   -1.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6  8  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
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 18 17  1  0  0  0  0
 17 19  1  0  0  0  0
 20 23  1  1  0  0  0
 22 24  2  0  0  0  0
 21 25  2  0  0  0  0
 19 26  1  6  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

PHUB002370 Score: 1.0		7-oxo-11-dodecenoic acid glucuronide metabolite	C₁₈H₂₆O₈ Mono mass: 370.162767797