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Antheraxanthin
  Mrv2104 10032319572D

43 45  0  0  0  0            999 V2000
    6.9798    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9676    1.5760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    0.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6822    1.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2478    1.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4020    0.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1081   -0.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5508    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4020    1.5799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8363    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1114    2.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1218    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363   -0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9785    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    0.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785   -0.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496    0.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8805    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5949    0.3004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5814   -0.5442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8717   -0.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3012    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2909   -0.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8617   -0.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0209    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7319    1.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9045    1.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0158   -0.5531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.7252   -0.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 11  1  0  0  0  0
 11 13  1  1  0  0  0
 33 34  1  0  0  0  0
 33 35  1  6  0  0  0
 33 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  1  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
 36 41  1  0  0  0  0
 37 42  1  0  0  0  0
 42 43  1  1  0  0  0
  7 11  1  0  0  0  0
 34 35  1  6  0  0  0
 39 42  1  0  0  0  0
 24 26  1  0  0  0  0
  1  4  1  0  0  0  0
  4 10  2  0  0  0  0
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 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 33 32  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 — 7 of approximately 7 results

PHUB000343 Score: 1.0	Antheraxanthin 640-03-9 precursor metabolite	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000348 Score: 0.905	Carotene 5,6-epoxide (beta-) 1923-89-3 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000369 Score: 0.905	Violaxanthin 126-29-4 precursor	C₄₀H₅₆O₄ Mono mass: 600.417860283
PHUB000362 Score: 0.893	Lutein 5,6-epoxide precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000366 Score: 0.787	Neoxanthin 14660-91-4 precursor	C₄₀H₅₆O₄ Mono mass: 600.417860283
PHUB000358 Score: 0.782	Flavoxanthin precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000365 Score: 0.72	Mutatochrome precursor	C₄₀H₅₆O Mono mass: 552.433116423