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Mrv2104 03072314022D

16 16  0  0  0  0            999 V2000
   -0.2678    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678   -0.0437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4466    1.1937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    1.6062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968   -0.0438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1257   -0.0439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1610   -0.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2678    2.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6968    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112    2.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9823    2.8437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  9 10  2  0  0  0  0
  5 11  2  0  0  0  0
  1 12  2  0  0  0  0
  2  7  1  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  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 — 3 of approximately 3 results

PHUB002405 Score: 1.0	5-acetylamino-6-formylamino-3-methyluracil 85438-96-6 metabolite	C₈H₁₀N₄O₄ Mono mass: 226.070204818
PHUB002404 Score: 0.901	5-acetyl-amino-6-amino-3-methyluracil 19893-78-8 metabolite	C₇H₁₀N₄O₃ Mono mass: 198.075290198
PHUB002541 Score: 0.758	4-Amino-(5-formylmethyl- amino) 1,3-dimethyluracil metabolite	C₇H₁₀N₄O₃ Mono mass: 198.075290198