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Mrv2104 06072104302D

51 58  0  0  0  0            999 V2000
   -5.1623   -1.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3732    2.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1623   -1.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4478    0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701   -3.0769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1341   -3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7232    3.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8766   -1.4746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1982    2.3745    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 10 13  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 27 28  1  6  0  0  0
 26 29  1  6  0  0  0
  9 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 28 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 28  1  0  0  0  0
 29 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 29  1  0  0  0  0
 34 46  1  0  0  0  0
 32 47  1  0  0  0  0
 13 48  1  0  0  0  0
 39 49  1  0  0  0  0
 43 50  1  0  0  0  0
 37 51  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 — 16 of approximately 16 results

PHUB001569 Score: 1.0	Rheumlhasol A precursor	C₄₃H₃₄O₈ Mono mass: 678.225368055
PHUB000317 Score: 0.902	Viniferin (delta-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001570 Score: 0.876	Rheumlhasol B precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000342 Score: 0.845	Miyabenol C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000318 Score: 0.842	Viniferin (Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000338 Score: 0.842	Viniferin (cis-Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001564 Score: 0.842	Viniferin (Omega-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001574 Score: 0.837	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001576 Score: 0.824	Scirpusin A precursor	C₂₈H₂₂O₇ Mono mass: 470.136553048
PHUB002861 Score: 0.818	Gnetin L precursor metabolite	C₂₉H₂₄O₇ Mono mass: 484.152203113
PHUB001565 Score: 0.811	Ampelopsin C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001575 Score: 0.811	Amuerensin G precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001566 Score: 0.806	Isohopeaphenol precursor	C₅₆H₄₂O₁₂ Mono mass: 906.267626792
PHUB001567 Score: 0.806	Hopeaphenol precursor	C₅₆H₄₂O₁₂ Mono mass: 906.267626792
PHUB001557 Score: 0.796	trans-δ-viniferin sulfate metabolite	C₂₈H₂₂O₉S Mono mass: 534.098453462
PHUB000340 Score: 0.785	Viniferin-alpha precursor	C₄₂H₃₀O₉ Mono mass: 678.188982546