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Mrv2104 03142314592D

30 34  0  0  0  0            999 V2000
   -0.1650   -0.6244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1766   -0.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5872    2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0806    0.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8809   -1.1502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493   -1.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9758   -2.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784    0.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    1.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582    1.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4132    0.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6260   -0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945    1.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977    0.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8224   -0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2036    0.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667    0.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6432    1.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4795    1.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6048   -1.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999   -0.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    1.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1439    2.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878   -2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -2.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4467   -2.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 15  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 19  1  0  0  0  0
  7 29  1  0  0  0  0
  8 29  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  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

PHUB002729 Score: 1.0		Cinnzeylanine 62203-47-8 precursor	C₂₂H₃₄O₈ Mono mass: 426.225368055