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Mrv2104 06072104342D

20 19  0  0  0  0            999 V2000
   -4.1962    1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4817    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673    1.8633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    1.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383    1.8633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6238    1.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4817    0.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3383    2.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0528    0.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991    0.2903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129   -0.5301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592   -0.8657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730   -1.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806   -2.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4669   -2.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2205   -3.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3068   -3.9982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8803   -1.0150    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6393   -4.4831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604   -4.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
  2  7  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  8  2  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 18  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 19  2  0  0  0  0
 17 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

PHUB001901 Score: 1.0	Sulforaphane-N-acetyl-L-cysteine metabolite	C₁₁H₂₀N₂O₄S₃ Mono mass: 340.058520654
PHUB002865 Score: 0.779	Sulforaphane-cysteine-glycine metabolite	C₁₁H₂₁N₃O₄S₃ Mono mass: 355.06941969
PHUB002864 Score: 0.769	Sulforaphane-cysteine 364083-21-6 metabolite	C₉H₁₈N₂O₃S₃ Mono mass: 298.04795597
PHUB002866 Score: 0.723	Sulforaphane-glutathione 289711-21-3 metabolite	C₁₆H₂₈N₄O₇S₃ Mono mass: 484.11201278