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Mrv2104 06072104222D

58 57  0  0  0  0            999 V2000
   11.1375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2500   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6750    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2000   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 42  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 43  1  0  0  0  0
 11 20  1  0  0  0  0
 12 18  1  0  0  0  0
 12 21  1  0  0  0  0
 13 44  1  0  0  0  0
 13 22  2  0  0  0  0
 13 25  1  0  0  0  0
 14 45  1  0  0  0  0
 14 23  2  0  0  0  0
 14 26  1  0  0  0  0
 15 46  1  0  0  0  0
 15 24  1  0  0  0  0
 15 27  2  0  0  0  0
 16 47  1  0  0  0  0
 16 28  2  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 33  2  0  0  0  0
 19 48  1  0  0  0  0
 19 34  2  0  0  0  0
 20 49  1  0  0  0  0
 20 35  2  0  0  0  0
 21 36  1  0  0  0  0
 22 50  1  0  0  0  0
 22 34  1  0  0  0  0
 23 51  1  0  0  0  0
 23 35  1  0  0  0  0
 24 52  1  0  0  0  0
 24 36  2  0  0  0  0
 25 53  1  0  0  0  0
 25 37  2  0  0  0  0
 26 54  1  0  0  0  0
 26 38  2  0  0  0  0
 27 55  1  0  0  0  0
 27 37  1  0  0  0  0
 28 56  1  0  0  0  0
 28 38  1  0  0  0  0
 29 57  1  0  0  0  0
 29 39  2  0  0  0  0
 30 39  1  0  0  0  0
 31 58  1  0  0  0  0
 31 40  2  0  0  0  0
 32 40  1  0  0  0  0
 32 41  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 — 10 of approximately 10 results

PHUB000364 Score: 1.0	Lycoxanthin precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000363 Score: 0.786	Lycopene precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000460 Score: 0.786	Lycopene (tetra-cis) precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000352 Score: 0.75	Carotene-zeta 72746-33-9 precursor	C₄₀H₆₀ Mono mass: 540.469501932
PHUB000458 Score: 0.75	Phytofluene precursor	C₄₀H₆₂ Mono mass: 542.485151996
PHUB000459 Score: 0.75	Neurosporene precursor	C₄₀H₅₈ Mono mass: 538.453851868
PHUB000068 Score: 0.744	Myrcenol precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000045 Score: 0.738	Geraniol (Hydroxy-) precursor	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001845 Score: 0.738	8-hydroxygeraniol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000457 Score: 0.727	Phytoene precursor	C₄₀H₆₄ Mono mass: 544.500802061
PHUB000939 Score: 0.705	12-Hydroxyfarnesol metabolite	C₁₅H₂₆O₂ Mono mass: 238.193280077