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Mrv2104 10032320512D

13 14  0  0  0  0            999 V2000
   11.1925   -8.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8052   -7.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7916   -6.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0711   -6.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3593   -6.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3811   -7.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0961   -7.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4499   -8.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7304   -9.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8774   -9.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0689   -5.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3597   -5.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7808   -5.1098    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
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
  8  1  1  0  0  0  0
 11 13  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

PHUB001017 Score: 1.0		Menthane (3,8-oxy-p-, 7-carboxylic acid) metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB003076 Score: 1.0		3,8-oxo-p-menthan-7-oic acid metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375