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Mrv2104 08242113352D

36 41  0  0  0  0            999 V2000
   -0.3717    0.4549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1467   -3.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1356    0.3749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1352   -1.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0281   -2.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743   -2.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814   -0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0326    3.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272    1.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8521    1.8745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119    1.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0217    0.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3826    3.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423    3.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6 12  1  0  0  0  0
  2 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 15 24  1  0  0  0  0
 20 24  2  0  0  0  0
 16 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  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
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 14 20  2  0  0  0  0
 13 14  1  0  0  0  0
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 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

PHUB002062 Score: 1.0	Mozambioside 70717-95-2 precursor	C₂₆H₃₆O₁₀ Mono mass: 508.230847359
PHUB002056 Score: 0.947	Mascaroside V precursor	C₂₃H₃₀O₅ Mono mass: 386.209324066
PHUB002054 Score: 0.815	Mascaroside III precursor	C₃₆H₄₄O₁₃ Mono mass: 684.278191477
PHUB002055 Score: 0.798	Mascaroside IV precursor	C₃₇H₄₆O₁₄ Mono mass: 714.288756161
PHUB002030 Score: 0.703	Cafestol palmitate precursor	C₃₇H₆₀O₄ Mono mass: 568.449160412
PHUB002031 Score: 0.703	Cafestol stearate precursor	C₃₉H₆₄O₄ Mono mass: 596.480460541