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Mrv2104 06072104343D

19 18  0  0  0  0            999 V2000
   -7.2896    0.5196    1.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2131    1.5502    0.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8190   -0.1210    0.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550    0.8510   -0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2920   -0.0768    0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8118   -0.7206   -0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3144   -0.7040   -0.8926 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3147   -0.8732   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1111   -0.9310    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7149   -0.7830   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7445    0.6727   -0.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6847   -0.9888    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9071   -0.6931   -0.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2476    0.6848   -1.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8738   -0.0254   -0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3623   -0.5598   -0.6146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6125   -0.0668    0.1252 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9826   -1.1665    0.4710 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    0.5099    1.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  3  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  3  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  1  0  0  0
 17 19  1  1  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

PHUB001867 Score: 1.0		Panaxydiol 708257-91-4 precursor	C₁₇H₂₄O₂ Mono mass: 260.177630013