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Mrv2104 06072104302D

28 30  0  0  0  0            999 V2000
   -2.5006    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.1678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.5446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.7196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    2.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1504   -1.3698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118   -1.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   -0.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4598   -0.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651   -1.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305    0.2817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4432   -1.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8064   -0.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0588   -2.1678    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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 20 27  1  0  0  0  0
 19 28  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

PHUB001559 Score: 1.0		trans-resveratrol-2-C-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668
PHUB001560 Score: 1.0		cis-resveratrol 2-C-glucoside precursor	C₂₀H₂₂O₈ Mono mass: 390.131467668