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Mrv2104 03172209232D

18 19  0  0  1  0            999 V2000
    2.4209    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7064    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4209    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9360    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1514   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2775    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4369   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2775   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1514    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4369    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7064    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2376   -1.2329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
  8 13  1  0  0  0  0
 13 11  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
  7 16  1  6  0  0  0
  8 17  1  1  0  0  0
  9 18  1  1  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

PHUB002402 Score: 1.0		Cyclo(isoleucyl-prolyl) precursor	C₁₁H₁₈N₂O₂ Mono mass: 210.136827828