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Viniferin 3&apos;,5&apos;-diglucoside
  Mrv2104 06072104212D

56 62  0  0  0  0            999 V2000
   -2.3701   -2.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6706    0.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7755   -0.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247   -0.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4774    0.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1296    0.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    3.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    3.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    3.3255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9984    3.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8909   -1.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4638   -3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2607   -3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4742   -2.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9164   -2.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2503   -4.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8441   -3.7357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711   -2.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256   -2.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 31  1  1  0  0  0  0
  2  1  2  0  0  0  0
 28  2  1  0  0  0  0
  8  3  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
 23  8  1  0  0  0  0
 15  9  1  0  0  0  0
 10  9  2  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 22 15  1  0  0  0  0
 25 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 24 20  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
  4 33  1  0  0  0  0
 33 34  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 39  1  0  0  0  0
 35 34  1  0  0  0  0
 34 36  1  0  0  0  0
 39 40  1  0  0  0  0
 35 41  1  0  0  0  0
 38 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
  6 45  1  0  0  0  0
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 48 49  1  0  0  0  0
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 50 51  1  0  0  0  0
 47 51  1  0  0  0  0
 47 46  1  0  0  0  0
 46 48  1  0  0  0  0
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 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 51 55  1  0  0  0  0
 55 56  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
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 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 — 12 of approximately 12 results

PHUB000329 Score: 1.0	Viniferin 3',5'-diglucoside (Epsilon-) precursor	C₄₀H₄₂O₁₆ Mono mass: 778.247285272
PHUB001555 Score: 0.905	ε-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB001556 Score: 0.825	trans-δ-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406
PHUB000318 Score: 0.787	Viniferin (Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000338 Score: 0.787	Viniferin (cis-Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001564 Score: 0.787	Viniferin (Omega-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB003037 Score: 0.784	Trifolirhizin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB001576 Score: 0.772	Scirpusin A precursor	C₂₈H₂₂O₇ Mono mass: 470.136553048
PHUB000342 Score: 0.765	Miyabenol C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000330 Score: 0.733	Pallidol 3-O-glucoside precursor	C₃₄H₃₂O₁₁ Mono mass: 616.19446185
PHUB000331 Score: 0.733	Pallidol 3, 3''-diglucoside precursor	C₄₀H₄₂O₁₆ Mono mass: 778.247285272
PHUB001574 Score: 0.714	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428