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Mrv2104 06072104192D

18 19  0  0  0  0            999 V2000
    2.1956   -2.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811   -3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -2.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0180   -2.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854   -1.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4700   -1.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549   -1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4700   -0.5695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6854   -0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516   -2.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4311   -3.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101   -3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245   -2.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3390   -3.6268    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  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

PHUB000131 Score: 1.0		Ipomoeamarone precursor	C₁₅H₂₂O₃ Mono mass: 250.156894568