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Mrv2104 06072104342D

22 21  0  0  1  0            999 V2000
    1.1547   -2.7259    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -1.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8625   -1.0815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547   -0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1536   -2.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871   -1.0815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374   -0.2558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7212   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4374   -1.0815    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8709   -1.4909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2960   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8709   -2.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547   -1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1536   -1.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1547   -3.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -3.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4459   -4.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5871   -0.5700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8832    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9989    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 17  1  0  0  0  0
  2 13  2  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 15  2  0  0  0  0
  6 16  2  0  0  0  0
 12  7  1  1  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
 11  8  1  6  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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 — 2 of approximately 2 results

PHUB001851 Score: 1.0		Gamma-glutamyl-S-allyl-L-cysteine precursor	C₁₁H₁₈N₂O₅S Mono mass: 290.093642862
PHUB001850 Score: 0.804		γ-glutamyl cysteine 636-58-8 precursor	C₈H₁₄N₂O₅S Mono mass: 250.062342733