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Mrv2104 03092209322D

21 22  0  0  0  0            999 V2000
   -1.4508    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6258    1.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    1.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258    0.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5936    0.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    0.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    0.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    2.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9873    2.3678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    2.6562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3694    2.1410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8491    3.4719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6174    3.7723    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2618    3.2571    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0301    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1377    2.4414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7821    1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454    1.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2553    4.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7415    4.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1352    5.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  1  2  0  0  0  0
  4  3  1  0  0  0  0
  4  6  1  0  0  0  0
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 18  1  6  0  0  0
 14 15  1  6  0  0  0
 16 17  1  1  0  0  0
 13 20  1  1  0  0  0
 20 21  2  0  0  0  0
 20 19  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

PHUB002314 Score: 1.0		Furaneol glucuronide metabolite	C₁₂H₁₆O₉ Mono mass: 304.079432095