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129883851
  Mrv2104 02162409482D

24 24  0  0  1  0            999 V2000
    3.7934    1.5716    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -2.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    2.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.4908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -0.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644   -1.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.1408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.8456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202    1.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215    1.0023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1086    0.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -0.6475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2363   -0.6475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -2.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -2.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 22  1  0  0  0  0
  4 24  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

PHUB002906 Score: 1.0		3,5-dihydroxyphenylethanol sulfate metabolite	C₈H₁₀O₆S Mono mass: 234.01980921