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Mrv2104 06072104242D

15 15  0  0  0  0            999 V2000
 9998.5915 9998.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8775 9999.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1635 9998.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8775 9999.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.591510000.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.591510001.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.448010000.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1612 9999.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.876410000.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.733810000.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.019310000.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.304810000.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3047 9999.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.0192 9998.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7338 9999.1756    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
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  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  2  0  0  0  0
 15 10  1  0  0  0  0
  1 13  1  0  0  0  0
 12  5  1  0  0  0  0
 10  7  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

PHUB000565 Score: 1.0		Acetyl eugenol precursor	C₁₂H₁₄O₃ Mono mass: 206.094294311
PHUB000606 Score: 0.721		Eugenol precursor	C₁₀H₁₂O₂ Mono mass: 164.083729626