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Mrv2104 06072104302D

38 42  0  0  0  0            999 V2000
    2.1891    0.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2864    0.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3325    0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180   -0.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0457    0.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0457    1.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7389    1.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9364    0.6044    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7614    0.6044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1498   -0.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6283    0.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  3  2  0  0  0  0
 16  1  1  0  0  0  0
 16  3  1  0  0  0  0
 16 11  2  0  0  0  0
 17  2  1  0  0  0  0
 17  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18  4  2  0  0  0  0
 18  5  1  0  0  0  0
 19 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20  6  2  0  0  0  0
 20  7  1  0  0  0  0
 21  9  1  0  0  0  0
 21 14  2  0  0  0  0
 22 10  2  0  0  0  0
 22 14  1  0  0  0  0
 23 12  1  0  0  0  0
 23 15  2  0  0  0  0
 24 13  2  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  8  1  0  0  0  0
 26 25  2  0  0  0  0
 27 19  1  0  0  0  0
 27 25  1  0  0  0  0
 28 18  1  0  0  0  0
 28 27  1  0  0  0  0
 29 20  1  0  0  0  0
 30 21  1  0  0  0  0
 31 22  1  0  0  0  0
 32 23  1  0  0  0  0
 33 24  1  0  0  0  0
 34 26  1  0  0  0  0
 34 28  1  0  0  0  0
 29 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  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 — 11 of approximately 11 results

PHUB001557 Score: 1.0	trans-δ-viniferin sulfate metabolite	C₂₈H₂₂O₉S Mono mass: 534.098453462
PHUB000317 Score: 0.872	Viniferin (delta-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001570 Score: 0.848	Rheumlhasol B precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001574 Score: 0.81	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001569 Score: 0.796	Rheumlhasol A precursor	C₄₃H₃₄O₈ Mono mass: 678.225368055
PHUB002861 Score: 0.791	Gnetin L precursor metabolite	C₂₉H₂₄O₇ Mono mass: 484.152203113
PHUB000318 Score: 0.751	Viniferin (Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000338 Score: 0.751	Viniferin (cis-Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001564 Score: 0.751	Viniferin (Omega-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001576 Score: 0.736	Scirpusin A precursor	C₂₈H₂₂O₇ Mono mass: 470.136553048
PHUB000342 Score: 0.729	Miyabenol C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261