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Mrv2104 03162210222D

25 27  0  0  0  0            999 V2000
   -6.6434    4.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4758    4.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9045    3.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5009    3.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6687    3.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2398    3.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1383    2.4151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4309    3.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164    3.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4309    2.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164    2.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020    2.7221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020    3.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164    1.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4998    1.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164    0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9364    0.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5219    0.6595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164   -0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576   -0.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4773   -0.1655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164   -0.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9588   -0.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4335   -0.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164   -1.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  2  0  0  0  0
  9  8  1  0  0  0  0
  8 10  2  0  0  0  0
  7 10  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
A   25
CH2OH
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

PHUB002367 Score: 1.0		Tangutorid E precursor	C₁₆H₁₈N₂O₃ Mono mass: 286.131742448
PHUB002368 Score: 1.0		Tangutorid F precursor	C₁₆H₁₈N₂O₃ Mono mass: 286.131742448