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Mrv2104 06072104342D

20 19  0  0  0  0            999 V2000
   -5.2901    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5757    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8612    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1467    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4322    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0033    0.1125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7178   -0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2888   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4255   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -1.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5690   -2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2834   -1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9979   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6653   -1.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411   -2.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  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

PHUB001898 Score: 1.0		Falcarindiol-3-acetate 111264-34-7 precursor	C₁₇H₂₆O₃ Mono mass: 278.188194697