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Mrv2104 06072104292D

12 12  0  0  0  0            999 V2000
10000.341610000.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0564 9999.9902    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
10001.4684 9999.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.6444 9999.2774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.769110000.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.916610001.2261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6297 9999.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.915310000.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2007 9999.9908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2007 9999.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9152 9998.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6297 9999.1659    0.0000 C   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
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1  7  1  0  0  0  0
  8  6  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

PHUB001352 Score: 1.0	Catechol-2-sulfate 4918-96-1 metabolite	C₆H₆O₅S Mono mass: 189.993594467
PHUB001416 Score: 0.949	Pyrogallol-2-O-sulfate metabolite	C₆H₆O₆S Mono mass: 205.988509087
PHUB002268 Score: 0.949	Pyrogallol 2-O-sulfate metabolite	C₆H₆O₆S Mono mass: 205.988509087
PHUB001967 Score: 0.889	Pyrogallol 1-O-sulfate metabolite	C₆H₆O₆S Mono mass: 205.988509087
PHUB002194 Score: 0.836	2-methoxy-benzene-1-sulfate metabolite	C₇H₈O₅S Mono mass: 204.009244532
PHUB002488 Score: 0.836	Guaiacol sulfate metabolite	C₇H₈O₅S Mono mass: 204.009244532
PHUB001310 Score: 0.828	Hydroquinone sulfate metabolite	C₆H₆O₅S Mono mass: 189.993594467
PHUB003024 Score: 0.762	Resorcinol sulfate metabolite	C₆H₆O₅S Mono mass: 189.993594467