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Mrv2104 06252113572D

43 47  0  0  1  0            999 V2000
   13.0255  -27.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9840  -28.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8219  -27.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7548  -28.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2727  -28.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9700  -29.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4492  -26.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0338  -26.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6528  -26.2285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4409  -27.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5077  -24.9640    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0663  -25.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6516  -25.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8430  -26.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2197  -24.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9668  -23.5884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7769  -23.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3170  -24.0562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8967  -22.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0138  -24.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2611  -23.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0682  -25.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2528  -24.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1037  -23.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1271  -23.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6672  -24.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4774  -24.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0175  -24.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8276  -24.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3677  -25.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1778  -25.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7179  -25.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5280  -25.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7981  -24.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2580  -24.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5280  -23.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3382  -23.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8783  -24.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6884  -23.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2285  -24.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0386  -24.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5787  -24.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3888  -24.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  9  1  0  0  0  0
  8  3  1  0  0  0  0
  9 10  1  0  0  0  0
  3  1  1  0  0  0  0
 10  1  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
  7  8  1  0  0  0  0
 11 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
 16 19  1  6  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  1  0  0  0
 11 23  1  6  0  0  0
 23 24  1  6  0  0  0
 21 24  1  0  0  0  0
 24 16  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 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
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 18 25  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 — 3 of approximately 3 results

PHUB002051 Score: 1.0	Caffarolide F precursor	C₃₇H₅₄O₆ Mono mass: 594.392039459
PHUB002052 Score: 0.994	Caffarolide G precursor	C₃₈H₅₆O₆ Mono mass: 608.407689523
PHUB002053 Score: 0.963	Caffarolide H precursor	C₃₆H₅₂O₆ Mono mass: 580.376389394