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16-B1-phytoprostane
  Mrv2104 06072104202D

22 22  0  0  1  0            999 V2000
    4.9437   -0.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2288   -4.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6302    4.9618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962    4.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2169   -1.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304   -2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7359   -0.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404    0.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9595    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3930   -1.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6639    1.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2006   -2.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8874    2.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3296   -3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0998   -3.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4066    3.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7410   -3.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5112   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110    4.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9806   -1.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6162   -2.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  6  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 — 4 of approximately 4 results

PHUB000204 Score: 1.0	16-B1-phytoprostane precursor	C₁₈H₂₈O₄ Mono mass: 308.198759382
PHUB000212 Score: 0.976	9-B1-phytoprostane precursor	C₁₈H₂₈O₄ Mono mass: 308.198759382
PHUB000213 Score: 0.708	9-dJ1-phytoprostane precursor	C₁₈H₂₆O₃ Mono mass: 290.188194697
PHUB000205 Score: 0.701	16-dJ1-phytoprostane precursor	C₁₈H₂₆O₃ Mono mass: 290.188194697