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Mrv2104 12142215002D

20 22  0  0  0  0            999 V2000
    1.8683   -1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538    0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4394   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2973   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263   -1.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7263   -0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118   -1.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118    0.1947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828    1.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5828   -2.2803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4408   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1552   -1.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538    1.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    1.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  1  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  2  0  0  0  0
  8 10  1  0  0  0  0
  7 16  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
  4 19  1  0  0  0  0
 14 20  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 — 4 of approximately 4 results

PHUB002550 Score: 1.0	Aloe-emodin 481-72-1 precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002553 Score: 0.93	Rhein 478-43-3 precursor	C₁₅H₈O₆ Mono mass: 284.032087978
PHUB002552 Score: 0.916	Chrysophanol 481-74-3 precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB002551 Score: 0.876	Emodin 518-82-1 precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422