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Mrv2104 06072104343D

21 20  0  0  0  0            999 V2000
   -9.3583   -0.8478   -1.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4105    1.1730   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6265    0.0241   -0.3603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1100   -0.1291   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4724    0.7621    0.4965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9760    0.7301    0.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5007   -0.6720    0.7395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0239   -0.7804    0.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2322    0.2569    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951    0.0770    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364    1.0745    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    0.8398    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    0.6495    0.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0535    0.4369    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2489    0.2637    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6723    0.0716    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2631   -1.0631    0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7548   -1.2470    0.4110 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7371   -0.0562   -0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4575   -1.0518    0.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3647   -0.0780   -0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2 19  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  2  0  0  0  0
 11 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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  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

PHUB001864 Score: 1.0		Oenanthetol acetate precursor	C₁₉H₂₄O₂ Mono mass: 284.177630013