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Mrv2104 06072104292D

30 32  0  0  0  0            999 V2000
    2.7455  -17.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311  -17.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311  -18.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455  -18.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600  -18.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600  -17.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455  -16.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745  -18.7938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166  -17.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021  -17.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6021  -18.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166  -18.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1123  -18.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681  -18.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745  -17.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745  -16.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890  -15.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890  -15.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034  -16.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7455  -19.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600  -20.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600  -20.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745  -21.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8888  -20.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1745  -22.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8888  -22.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034  -22.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034  -21.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0311  -20.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3179  -22.5063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9  2  1  0  0  0  0
 12  3  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 24 28  2  0  0  0  0
 24 23  1  0  0  0  0
 23 25  2  0  0  0  0
 20 29  2  0  0  0  0
 27 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

PHUB001406 Score: 1.0		Xanthohumol E precursor	C₂₆H₂₈O₄ Mono mass: 404.198759382