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Mrv2104 06072104352D

41 47  0  0  0  0            999 V2000
   -5.6179    3.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3323    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3323    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9034    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1889    3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4745    1.7875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -2.0455    4.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3311    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2288   -1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143   -2.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998   -1.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3722   -2.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6577   -3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9432   -2.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0866   -3.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143   -2.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998    0.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5143    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854   -0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0854    0.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0853   -2.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3709   -0.8111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1889    1.3750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.6179    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0468    3.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7599    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7998    1.6638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6166    4.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5 36  1  0  0  0  0
 36  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
 12 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 18 22  1  0  0  0  0
 27 22  2  0  0  0  0
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 19 29  1  0  0  0  0
 21 32  1  0  0  0  0
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 32 33  2  0  0  0  0
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 20 34  2  0  0  0  0
 32 35  1  0  0  0  0
 30 40  1  0  0  0  0
  4 37  1  0  0  0  0
  2 38  1  0  0  0  0
  8 39  1  1  0  0  0
  9 40  1  6  0  0  0
 15 41  1  0  0  0  0
 36 31  1  6  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

PHUB001879 Score: 1.0		Ephedrannin A precursor	C₃₀H₂₀O₁₁ Mono mass: 556.100561464