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45040448
  Mrv2104 01102319122D

37 36  0  0  1  0            999 V2000
    6.3799    1.1096    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0944    1.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6654    2.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -2.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5220   -3.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5234    1.8356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    3.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9649    3.8404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    2.5038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1098    2.5038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 26  1  0  0  0  0
  2  7  2  0  0  0  0
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  6 27  1  0  0  0  0
  6 36  1  0  0  0  0
  8 27  2  0  0  0  0
  9 30  1  0  0  0  0
  9 37  1  0  0  0  0
 10 30  2  0  0  0  0
 15 11  1  6  0  0  0
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 20 14  1  1  0  0  0
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 15 21  1  0  0  0  0
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 18 22  1  0  0  0  0
 19 24  1  0  0  0  0
 20 27  1  0  0  0  0
 28 30  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
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 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 — 3 of approximately 3 results

PHUB002866 Score: 1.0	Sulforaphane-glutathione 289711-21-3 metabolite	C₁₆H₂₈N₄O₇S₃ Mono mass: 484.11201278
PHUB002865 Score: 0.732	Sulforaphane-cysteine-glycine metabolite	C₁₁H₂₁N₃O₄S₃ Mono mass: 355.06941969
PHUB001901 Score: 0.723	Sulforaphane-N-acetyl-L-cysteine metabolite	C₁₁H₂₀N₂O₄S₃ Mono mass: 340.058520654