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Mrv2104 06072104232D

40 39  0  0  0  0            999 V2000
   21.2312  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0886  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6619  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3744  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5168  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3763  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9455  -18.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3736  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0880  -18.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8051  -15.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5194  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8030  -18.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9475  -15.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0900  -15.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6605  -18.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2325  -15.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.8030  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9475  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0900  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6605  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2325  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6600  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8025  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0906  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2331  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5174  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3755  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3750  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5181  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8043  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9462  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9469  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5187  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2318  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6612  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0894  -17.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8037  -16.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 17  1  0  0  0  0
  2  4  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  4 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  2  0  0  0  0
 18 26  2  0  0  0  0
 19 27  2  0  0  0  0
 20 29  2  0  0  0  0
 21 28  2  0  0  0  0
 22 30  2  0  0  0  0
 22 33  1  0  0  0  0
 23 31  2  0  0  0  0
 23 34  1  0  0  0  0
 24 32  2  0  0  0  0
 24 35  1  0  0  0  0
 28 36  1  0  0  0  0
 29 37  1  0  0  0  0
 30 38  1  0  0  0  0
 31 39  1  0  0  0  0
 32 40  1  0  0  0  0
 33 36  2  0  0  0  0
 34 37  2  0  0  0  0
 35 38  2  0  0  0  0
 39 40  2  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

PHUB000352 Score: 1.0	ζ-Carotene 72746-33-9 precursor	C₄₀H₆₀ Mono mass: 540.469501932
PHUB000458 Score: 1.0	Phytofluene 540-05-6 / 27664-65-9 precursor	C₄₀H₆₂ Mono mass: 542.485151996
PHUB000459 Score: 1.0	Neurosporene 502-64-7 precursor	C₄₀H₅₈ Mono mass: 538.453851868
PHUB000457 Score: 0.971	Phytoene 13920-14-4 precursor	C₄₀H₆₄ Mono mass: 544.500802061
PHUB000363 Score: 0.943	Lycopene precursor biomarker	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000460 Score: 0.943	Lycopene (tetra-cis) precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000364 Score: 0.75	Lycoxanthin precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000351 Score: 0.745	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000071 Score: 0.743	Ocimene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000350 Score: 0.702	β-Carotene 7235-40-7 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000119 Score: 0.7	Farnesene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773