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Mrv2104 06072104222D

42 43  0  0  1  0            999 V2000
    5.2212   -4.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962   -4.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837   -4.1591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3962   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6337   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2212   -5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357   -5.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6337   -2.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1587   -4.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4588   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6963   -3.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1088   -2.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9338   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3463   -4.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1713   -4.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5838   -5.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5838   -4.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4088   -5.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8213   -6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4088   -7.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8213   -7.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6463   -7.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4088   -8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0588   -8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8838   -8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2963   -9.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1213   -9.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5338   -9.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3588   -9.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8838   -9.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7713   -9.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7713  -10.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5963  -10.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0569   -8.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0088   -9.8749    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5963   -9.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7713   -8.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8339   -9.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3588  -11.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  6  0  0  0
  6 11  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
 35 32  2  0  0  0  0
 36 35  1  0  0  0  0
 37 34  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 39 34  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  6  0  0  0
 42 35  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 — 14 of approximately 14 results

PHUB000356 Score: 1.0	β-Cryptoxanthin 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000370 Score: 1.0	Zeaxanthin 144-68-3 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000462 Score: 1.0	Zeaxanthin (meso) precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB002548 Score: 1.0	cryptoxanthin-(beta) 472-70-8 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000368 Score: 0.971	Rubixanthin 3763-55-1 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000463 Score: 0.918	Zeinoxanthin 24480-38-4 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000461 Score: 0.893	Anhydrolutein I 92760-20-8 precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB000361 Score: 0.817	Lutein 127-40-2 precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000344 Score: 0.761	Astaxanthin 472-61-7 precursor metabolite	C₄₀H₅₂O₄ Mono mass: 596.386560154
PHUB000032 Score: 0.739	Carvomenthenol (4-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000087 Score: 0.739	Terpinen-4-ol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000355 Score: 0.732	α-Cryptoxanthin 24480-38-4 precursor	C₄₀H₅₆O Mono mass: 552.433116423
PHUB000360 Score: 0.732	Lactucaxanthin precursor	C₄₀H₅₆O₂ Mono mass: 568.428031043
PHUB000144 Score: 0.724	Rishitin precursor	C₁₄H₂₂O₂ Mono mass: 222.161979948
PHUB000346 Score: 0.713	Capsanthin 465-42-9 precursor metabolite	C₄₀H₅₆O₃ Mono mass: 584.422945663