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Mrv2104 06072104352D

42 45  0  0  1  0            999 V2000
    9.4850  -12.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1994  -12.2342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9139  -12.6467    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9139  -13.4717    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1994  -13.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4850  -13.4717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7705  -13.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1994  -14.7091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7705  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7705  -11.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6283  -13.8842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0572   -8.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0572   -9.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428  -10.1717    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6283   -9.7592    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6283   -8.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428   -8.5218    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3428   -7.6968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9139   -8.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9139  -10.1717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7717   -8.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4861   -8.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7717  -12.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0572  -11.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0572  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428  -12.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6283  -11.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6283  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6295  -10.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6295  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9151   -9.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9151  -11.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2006  -10.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2006  -10.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4861  -11.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4861  -12.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7717  -13.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7717  -10.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9139  -10.9967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3440   -9.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3428  -13.4717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  6  0  0  0
  4  5  1  6  0  0  0
  2  3  1  0  0  0  0
  6  1  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  0  0  0  0
  4 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  6  0  0  0
 13 14  1  0  0  0  0
 17 12  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 25  2  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 29 28  2  0  0  0  0
 23 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  2  0  0  0  0
 33 31  2  0  0  0  0
 34 32  1  0  0  0  0
 35 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  2  0  0  0  0
 24 39  1  0  0  0  0
 28 40  1  0  0  0  0
 14 26  1  0  0  0  0
 30 41  1  0  0  0  0
  3 29  1  0  0  0  0
 27 42  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 — 6 of approximately 6 results

PHUB002019 Score: 1.0	3',5'-di-C-glucopyranosylphloretin precursor	C₂₇H₃₄O₁₅ Mono mass: 598.189770395
PHUB002010 Score: 0.994	Nothofagin 11023-94-2 precursor metabolite	C₂₁H₂₄O₁₀ Mono mass: 436.136946973
PHUB002004 Score: 0.952	Aspalathin precursor metabolite	C₂₁H₂₄O₁₁ Mono mass: 452.131861593
PHUB002005 Score: 0.924	3-methoxy-aspalathin metabolite	C₂₂H₂₆O₁₁ Mono mass: 466.147511657
PHUB000402 Score: 0.814	Eriodictyol-6-C-glucoside precursor	C₂₁H₂₂O₁₁ Mono mass: 450.116211528
PHUB000403 Score: 0.802	Eriodictyol-8-C-glucoside precursor	C₂₁H₂₂O₁₁ Mono mass: 450.116211528