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Mrv2104 02172313382D

13 13  0  0  0  0            999 V2000
    0.2455    2.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689    1.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4689    0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    0.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9600    0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9600    1.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1835    2.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8979    1.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8980    0.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1834    0.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6745    2.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6744    0.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124    0.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  2  7  1  0  0  0  0
  6 11  2  0  0  0  0
  5 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 10  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

PHUB002604 Score: 1.0		Caffeoyl-o-quinone metabolite	C₉H₆O₄ Mono mass: 178.026608673