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Mrv2104 10192301412D

44 47  0  0  0  0            999 V2000
 9993.907910000.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10000.3372 9999.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.051010000.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7648 9999.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.480610000.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7648 9998.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10004.6219 9998.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.0515 9999.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10008.0072 9999.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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10007.476310001.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.761810001.0480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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10007.4763 9999.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.190810000.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.190810001.0480    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 33 34  1  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 38  1  0  0  0  0
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 37  7  1  0  0  0  0
 33  8  1  0  0  0  0
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 35 12  1  1  0  0  0
 41 27  1  1  0  0  0
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 42 30  1  0  0  0  0
 42 31  1  0  0  0  0
 44 32  1  1  0  0  0
 38  4  1  6  0  0  0
 37  4  1  6  0  0  0
 41 28  1  6  0  0  0
 40 28  1  6  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 — 6 of approximately 6 results

PHUB000369 Score: 1.0	Violaxanthin 126-29-4 precursor	C₄₀H₅₆O₄ Mono mass: 600.417860283
PHUB000343 Score: 0.905	Antheraxanthin 640-03-9 precursor metabolite	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000348 Score: 0.9	Carotene 5,6-epoxide (beta-) 1923-89-3 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000362 Score: 0.888	Lutein 5,6-epoxide precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663
PHUB000366 Score: 0.779	Neoxanthin 14660-91-4 precursor	C₄₀H₅₆O₄ Mono mass: 600.417860283
PHUB000358 Score: 0.726	Flavoxanthin precursor	C₄₀H₅₆O₃ Mono mass: 584.422945663