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Mrv2104 06072104302D

14 14  0  0  0  0            999 V2000
 9998.7782 9999.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4923 9998.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.2086 9999.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.9228 9998.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.208610000.2179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3460 9997.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8772 9998.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.350310000.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3489 9999.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6345 9998.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6345 9998.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3489 9997.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0633 9998.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0633 9998.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
 13  6  1  0  0  0  0
 13  7  1  0  0  0  0
  9  8  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 — 6 of approximately 6 results

PHUB001457 Score: 1.0	beta-Ionone 79-77-6 precursor	C₁₃H₂₀O Mono mass: 192.151415264
PHUB001886 Score: 0.833	Retinal 116-31-4 metabolite	C₂₀H₂₈O Mono mass: 284.214015522
PHUB000345 Score: 0.826	Canthaxanthin 514-78-3 precursor	C₄₀H₅₂O₂ Mono mass: 564.396730914
PHUB000357 Score: 0.826	Echinenone precursor	C₄₀H₅₄O Mono mass: 550.417466359
PHUB000464 Score: 0.82	carotenal (beta-apo-8') precursor	C₃₀H₄₀O Mono mass: 416.307915908
PHUB000350 Score: 0.717	Carotene-beta 7235-40-7 precursor	C₄₀H₅₆ Mono mass: 536.438201803