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Mrv2104 06072104352D

40 42  0  0  0  0            999 V2000
    4.7160   -2.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2023   -1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -3.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2863   -1.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9628   -2.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0790   -0.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0004   -1.9968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2908   -0.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1381   -2.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7101   -1.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3491   -0.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4241   -1.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0630   -0.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1383   -1.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770   -0.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0999    0.3228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8568   -1.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5752   -1.5755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2938   -1.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0123   -1.5711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2982   -2.8127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 20 23  2  0  0  0  0
  5 10  1  6  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 — 1 of approximately 1 results

PHUB002003 Score: 1.0		Hordatine A 7073-64-5 precursor	C₂₈H₃₈N₈O₄ Mono mass: 550.301601736