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Mrv2104 08232115572D

24 29  0  0  1  0            999 V2000
   20.2255  -14.0374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7726  -14.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6419  -10.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1469   -9.1032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6752  -12.4431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6817  -11.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3684  -12.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7782  -13.4316    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5000  -13.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9228  -12.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5858  -13.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4324  -11.1657    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.5661  -12.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4192  -12.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1469  -11.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1602  -12.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1878  -14.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4324  -10.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7180  -10.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8613  -11.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1469   -9.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8613  -10.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6419  -11.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1234  -10.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 22  1  0  0  0  0
  3 24  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  1  0  0  0
  6  9  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  6  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  1  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  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 — 1 of approximately 1 results

PHUB002063 Score: 1.0		Bengalensol precursor	C₂₀H₂₆O₄ Mono mass: 330.183109317