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Mrv2104 06072104302D          
 
 23 24  0  0  1  0            999 V2000
   12.2930   -9.3322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5784   -8.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2930  -10.1526    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0114   -8.9237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638   -9.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5784  -10.5685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0076  -10.5685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7223   -8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638  -10.1526    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1605   -8.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5784  -11.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4331   -8.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7260   -7.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1605  -10.5685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5290   -9.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4331   -9.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1554   -8.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1554  -10.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8662   -8.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8851   -9.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1554  -10.9997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5809   -8.5117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5809  -10.1640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
  6  9  1  0  0  0  0
 19 20  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

PHUB001425 Score: 1.0	Glucogallin precursor	C₁₃H₁₆O₁₀ Mono mass: 332.074346715
PHUB000307 Score: 0.913	Galloyl glucose precursor	C₁₃H₁₆O₁₀ Mono mass: 332.074346715
PHUB000732 Score: 0.769	Casuarictin precursor	C₄₁H₂₈O₂₆ Mono mass: 936.086881022
PHUB000740 Score: 0.769	Potentillin precursor	C₄₁H₂₈O₂₆ Mono mass: 936.086881022
PHUB001975 Score: 0.708	Tellimagrandin I 79786-08-6 precursor	C₃₄H₂₆O₂₂ Mono mass: 786.091572477