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Mrv2104 06072104232D

40 39  0  0  0  0            999 V2000
    0.5974   11.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119   11.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0263   11.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408   11.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553   11.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1697   11.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842   11.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987   11.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3132   11.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119   12.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1697   12.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5987   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3132   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0276   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7421   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4566   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1710   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8855   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3145   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0289   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7434   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1710   11.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4579   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7434    9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1723   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8868   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013   10.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3158   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013    9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3158    9.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0302    9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7447    9.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4592    9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1736    9.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8881    9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6026    9.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7447    8.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3171    9.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6026    8.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 13  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 33 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  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 — 9 of approximately 9 results

PHUB000363 Score: 1.0	Lycopene precursor biomarker	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000460 Score: 1.0	Lycopene (tetra-cis) precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000352 Score: 0.943	ζ-Carotene 72746-33-9 precursor	C₄₀H₆₀ Mono mass: 540.469501932
PHUB000458 Score: 0.943	Phytofluene 540-05-6 / 27664-65-9 precursor	C₄₀H₆₂ Mono mass: 542.485151996
PHUB000459 Score: 0.943	Neurosporene 502-64-7 precursor	C₄₀H₅₈ Mono mass: 538.453851868
PHUB000457 Score: 0.914	Phytoene 13920-14-4 precursor	C₄₀H₆₄ Mono mass: 544.500802061
PHUB000071 Score: 0.788	Ocimene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000364 Score: 0.786	Lycoxanthin precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000351 Score: 0.702	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803