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anhydrolutein
  Mrv2104 06072104232D

41 42  0  0  0  0            999 V2000
   -6.3478   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6334    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9187   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2041    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4897   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7751    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0606   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3460    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6314   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6547   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3686    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7964    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2041    1.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3460    1.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    0.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2267   -0.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0825   -0.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0624    0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7769   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7769   -0.9843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.0624   -1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3478   -0.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3478    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7769    0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6345   -1.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388   -0.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6533    0.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6533    1.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9388    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    1.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6533   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5109    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6533   -1.4903    0.0000 O   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  2  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  4 20  1  0  0  0  0
  8 21  1  0  0  0  0
 22 19  1  6  0  0  0
 13 23  1  0  0  0  0
 17 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  1  2  0  0  0  0
 25 30  1  0  0  0  0
 31 25  1  0  0  0  0
 29 32  1  0  0  0  0
 22 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 22  1  0  0  0  0
 33 38  1  0  0  0  0
 39 33  1  0  0  0  0
 37 40  2  0  0  0  0
 27 41  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 — 10 of approximately 10 results

PHUB000461 Score: 1.0	Anhydrolutein I precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB000463 Score: 0.947	Zeinoxanthin precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000368 Score: 0.92	Rubixanthin precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000356 Score: 0.893	Cryptoxanthin-beta 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000370 Score: 0.893	Zeaxanthin 144-68-3 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000462 Score: 0.893	Zeaxanthin (meso) precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB002548 Score: 0.893	cryptoxanthin-(beta) 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000361 Score: 0.869	Lutein 127-40-2 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000355 Score: 0.786	Cryptoxanthin-alpha precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000360 Score: 0.786	Lactucaxanthin precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000144 Score: 0.738	Rishitin precursor	C₁₄H₂₂O₂ Mono mass: 222.161979948