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Mrv2104 06072104342D

21 22  0  0  0  0            999 V2000
   -3.8170    2.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5314    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5314    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8170    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1025    0.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1025    1.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    2.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343    0.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806    0.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4312   -0.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7944   -0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0407   -0.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2132    1.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    1.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0531    2.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679    2.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0454   -1.4176    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 10 12  2  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 13 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

PHUB001903 Score: 1.0		Tragopogonic acid precursor	C₁₅H₁₂O₆ Mono mass: 288.063388106