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Mrv2104 03072313382D

15 15  0  0  1  0            999 V2000
   -2.8348    1.2151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5022    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2473   -0.0544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4223   -0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1674    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    0.9850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3827    0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697    0.4330    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9412   -0.3739    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0149    0.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7258   -0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -0.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1128   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864    1.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279    0.1358    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   9   1  15  -1
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

PHUB002396 Score: 1.0		Ergothioneine 497-30-3 precursor metabolite	C₉H₁₅N₃O₂S Mono mass: 229.088497909
PHUB002343 Score: 0.75		L-Histidine 71-00-1 precursor	C₆H₉N₃O₂ Mono mass: 155.069476542