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Mrv2104 03012316032D

14 15  0  0  0  0            999 V2000
   -0.4949   -1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7836    0.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711   -1.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7012    0.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8661   -0.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848    0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1035    0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8148   -0.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -1.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4848    1.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024    0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1035    0.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  1  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  3  1  0  0  0  0
  5  7  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  2  0  0  0  0
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  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

PHUB002666 Score: 1.0		Chamazulene 529-05-5 precursor	C₁₄H₁₆ Mono mass: 184.125200515