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Mrv2104 06072104213D

34 38  0  0  0  0            999 V2000
    4.3297    1.0145   -0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994   -0.6142   -1.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3547   -0.8311   -0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0942   -0.6235    1.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5124    0.5462   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3684   -1.0780   -2.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7182   -0.8873   -0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4648   -0.6785    1.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020    0.9155   -0.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810    2.2488   -1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2209    2.8056    1.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6917    4.4106   -0.4885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1744   -1.9197    1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7760   -3.8276    1.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1611    0.4240   -0.7404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4903   -0.6974    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8228    1.8550    0.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431   -0.4811   -1.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2893   -0.8102    0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3066    3.5031   -1.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6475    4.0550    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -3.2600    1.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199    0.1950    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825   -1.2066    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3513   -3.0878    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913    0.5688    0.7325 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0758   -0.6308    0.1145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2178   -1.7562    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7702   -0.9198   -2.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6672   -0.8638    0.8127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3442    3.8452   -2.8085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0363    4.9658    1.8441 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1026   -4.0383    1.7878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5421   -3.7214    0.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1 15  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  2  0  0  0  0
  3  7  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  2  0  0  0  0
  5 18  1  0  0  0  0
  6 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 19  2  0  0  0  0
  9 15  1  0  0  0  0
  9 23  2  0  0  0  0
 10 17  2  0  0  0  0
 10 20  1  0  0  0  0
 11 17  1  0  0  0  0
 11 21  2  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  2  0  0  0  0
 13 24  1  0  0  0  0
 14 22  1  0  0  0  0
 14 25  2  0  0  0  0
 27 16  1  1  0  0  0
 26 17  1  6  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 28  2  0  0  0  0
 25 28  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  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 — 2 of approximately 2 results

PHUB000341 Score: 1.0		Parthenocissin A precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001568 Score: 1.0		Quadrangularin A precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428