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Mrv2104 06072104242D

24 25  0  0  0  0            999 V2000
   -2.4835   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823   -0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9611   -1.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599   -0.7608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    0.5204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4835    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1246   -0.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9258   -1.1615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419    2.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    1.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1599    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0413    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046    0.1206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258    0.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413   -2.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0413    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7624    1.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4835    1.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2046    1.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  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 — 5 of approximately 5 results

PHUB000570 Score: 1.0	Avenanthramide 2f precursor metabolite	C₁₇H₁₅NO₆ Mono mass: 329.089937207
PHUB000569 Score: 0.958	Avenanthramide 2c precursor metabolite	C₁₆H₁₃NO₆ Mono mass: 315.074287143
PHUB000571 Score: 0.937	Avenanthramide 2p precursor metabolite	C₁₆H₁₃NO₅ Mono mass: 299.079372523
PHUB000572 Score: 0.904	Avenanthramide K precursor	C₁₆H₁₃NO₆ Mono mass: 315.074287143
PHUB002973 Score: 0.84	Avenanthramide O precursor metabolite	C₁₈H₁₅NO₅ Mono mass: 325.095022587