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Mrv2104 03082314042D

19 19  0  0  0  0            999 V2000
    1.7844    3.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0698    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4994    2.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3563    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591    2.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289    2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    2.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4591    3.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1737    3.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7447    3.8928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2559    3.2465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4980    2.0297    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
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  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 — 2 of approximately 2 results

PHUB002570 Score: 1.0		N-Cinnamyol-L-aspartic acid precursor	C₁₃H₁₃NO₅ Mono mass: 263.079372523
PHUB000577 Score: 0.919		Caffeoyl aspartic acid precursor	C₁₃H₁₃NO₆ Mono mass: 279.074287143