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Mrv2104 06072104302D

51 58  0  0  0  0            999 V2000
   -5.8792   -0.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8792   -1.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1647   -1.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7358   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4301    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8426    0.7151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6496    0.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2510    1.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4541    2.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8707    1.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1647    0.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0738    1.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8343    2.4107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5937    0.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1019    2.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1647   -2.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2792   -2.0101    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
 32 33  1  6  0  0  0
 31 34  1  6  0  0  0
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 33  1  0  0  0  0
 34 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 34  1  0  0  0  0
 38 45  1  0  0  0  0
 36 46  1  0  0  0  0
 42 47  1  0  0  0  0
 19 48  1  0  0  0  0
  1 49  1  0  0  0  0
  3 50  1  0  0  0  0
 12 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
 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 — 19 of approximately 19 results

PHUB001570 Score: 1.0	Rheumlhasol B precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000317 Score: 0.969	Viniferin (delta-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001574 Score: 0.957	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB002861 Score: 0.933	Gnetin L precursor metabolite	C₂₉H₂₄O₇ Mono mass: 484.152203113
PHUB001569 Score: 0.876	Rheumlhasol A precursor	C₄₃H₃₄O₈ Mono mass: 678.225368055
PHUB000318 Score: 0.869	Viniferin (Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000338 Score: 0.869	Viniferin (cis-Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001564 Score: 0.869	Viniferin (Omega-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001576 Score: 0.849	Scirpusin A precursor	C₂₈H₂₂O₇ Mono mass: 470.136553048
PHUB001557 Score: 0.848	trans-δ-viniferin sulfate metabolite	C₂₈H₂₂O₉S Mono mass: 534.098453462
PHUB000342 Score: 0.84	Miyabenol C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000340 Score: 0.778	Viniferin-alpha precursor	C₄₂H₃₀O₉ Mono mass: 678.188982546
PHUB000573 Score: 0.745	8,5'-Benzofuran diferulic acid precursor	C₂₀H₁₈O₈ Mono mass: 386.10016754
PHUB001566 Score: 0.743	Isohopeaphenol precursor	C₅₆H₄₂O₁₂ Mono mass: 906.267626792
PHUB001567 Score: 0.743	Hopeaphenol precursor	C₅₆H₄₂O₁₂ Mono mass: 906.267626792
PHUB001565 Score: 0.741	Ampelopsin C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001575 Score: 0.741	Amuerensin G precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001710 Score: 0.722	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906
PHUB001556 Score: 0.702	trans-δ-viniferin glucuronide metabolite	C₃₄H₃₀O₁₂ Mono mass: 630.173726406