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Mrv2104 06072104342D

22 21  0  0  0  0            999 V2000
   14.3612    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6467    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2178    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5033    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7888    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0744    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3599    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2165    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5020    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0731    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6441    0.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297   -1.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3585   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0731   -1.4585    0.0000 C   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  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
 10 12  1  0  0  0  0
 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  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 — 2 of approximately 2 results

PHUB001865 Score: 1.0		Falcarindiol 3-acetate precursor	C₁₉H₂₆O₃ Mono mass: 302.188194697
PHUB001866 Score: 0.734		Falcarindiol 8-methyl ether precursor	C₁₈H₂₆O₂ Mono mass: 274.193280077