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Mrv2104 03092214512D

18 20  0  0  0  0            999 V2000
    2.1015    1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2902   -1.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131    1.5558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3754   -0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4124    0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301    1.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6746    0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4564    1.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5801   -0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    0.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2136    0.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1256   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3006   -0.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9490   -0.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5940   -1.2348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1537   -0.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  2  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16  7  2  0  0  0  0
 17 15  2  0  0  0  0
 18 14  1  0  0  0  0
 18 15  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

PHUB002322 Score: 1.0		Lettucenin A 97915-46-3 precursor	C₁₅H₁₂O₃ Mono mass: 240.078644246