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Flavoxanthin
  Mrv2104 06072104222D

43 45  0  0  1  0            999 V2000
    2.7845    0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.1104    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3556    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.1104    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5549    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435    0.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    1.5229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1435    2.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8859    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701    1.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534    1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6909    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1034    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284    2.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3409    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1659    3.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5784    4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034    4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8159    5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4034    5.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6409    5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0534    5.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8784    5.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2909    6.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8784    7.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1159    6.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5284    5.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3534    5.8098    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.7659    5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3534    4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5909    5.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0034    5.8098    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  -13.8284    5.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5909    6.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7659    6.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7371    7.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0663    6.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 13  1  0  0  0  0
  7 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 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  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  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

PHUB000358 Score: 1.0	Flavoxanthin precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000365 Score: 0.916	Mutatochrome precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000362 Score: 0.829	Lutein 5,6-epoxide precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000343 Score: 0.782	Antheraxanthin 640-03-9 precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000348 Score: 0.741	Carotene 5,6-epoxide (beta-) precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000369 Score: 0.726	Violaxanthin precursor	C₄₀H₅₆O₄ Mono mass: 600.417860283
PHUB000361 Score: 0.703	Lutein 127-40-2 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000355 Score: 0.701	Cryptoxanthin-alpha precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000360 Score: 0.701	Lactucaxanthin precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043