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Demissidine
  Mrv2104 06072104272D

29 34  0  0  1  0            999 V2000
    9.3080   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5766   -2.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3655   -2.3762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0727   -1.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7943   -2.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8086   -3.1762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5302   -3.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1015   -3.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3799   -3.2012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5999   -3.4697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1266   -4.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3377   -3.9043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6306   -4.3292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6449   -5.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378   -5.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2163   -5.1790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5090   -5.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7875   -5.2040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0804   -5.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7731   -4.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4803   -3.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2018   -4.3542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1874   -3.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9090   -3.9293    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8946   -3.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6017   -2.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3233   -3.0795    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3953   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1034   -2.8108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
  2 29  1  0  0  0  0
 29 10  1  1  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

PHUB000848 Score: 1.0		Demissidine precursor	C₂₇H₄₅NO Mono mass: 399.350115073