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Fucoxanthin
  Mrv2104 06072104222D

49 51  0  0  1  0            999 V2000
   -6.5854    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8709    0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1564    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4172    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1317   -0.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2998    0.2039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5854   -0.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0143   -1.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7288    0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7288   -0.6211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.4432   -1.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1317    0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4268    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0143    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6018    1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2998   -0.6211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5853   -1.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5606    0.2039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2751   -0.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7040   -0.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9896   -1.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7040   -1.0335    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4185   -1.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1330   -1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1330   -0.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8475   -1.4459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4501   -1.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751   -1.0335    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8626   -1.7480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5770    0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9895    0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8462    1.4414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 21  1  1  1  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 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 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 27  2  0  0  0  0
 27 20  1  0  0  0  0
 21 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 29  1  0  0  0  0
 31 23  1  0  0  0  0
 31 22  1  0  0  0  0
 29 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 48 27  1  6  0  0  0
 29 28  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  1  0  0  0
 48 33  2  0  0  0  0
 33 34  2  0  0  0  0
 34 46  1  0  0  0  0
 34 43  1  0  0  0  0
 46 35  1  0  0  0  0
 35 37  1  0  0  0  0
 43 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  6  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 43 42  1  6  0  0  0
 43 44  1  1  0  0  0
 46 45  1  0  0  0  0
 46 47  1  0  0  0  0
 48 49  1  1  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 — 1 of approximately 1 results

PHUB000359 Score: 1.0		Fucoxanthin precursor	C₄₂H₅₈O₆ Mono mass: 658.423339588