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Mrv2104 06072104182D

26 28  0  0  0  0            999 V2000
 9998.911510001.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.626010002.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.337910000.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7669 9998.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.4825 9997.9460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.766910001.6574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.195910000.8325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1959 9999.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.053410001.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4864 9998.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.767610000.8336    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.053110000.4211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.0531 9999.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.7676 9999.1836    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.4821 9999.5960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.482110000.4211    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.911510000.8299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.9115 9999.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6260 9999.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.626010000.4174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.485810000.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.771310000.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7713 9999.5923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4858 9999.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2003 9999.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.200310000.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17  1  1  1  0  0  0
 20  3  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 10  2  0  0  0  0
 17 26  1  0  0  0  0
 25 18  2  0  0  0  0
  3 12  1  0  0  0  0
 12  9  1  6  0  0  0
 14  4  1  1  0  0  0
 15  8  1  6  0  0  0
 16  7  1  1  0  0  0
 11  6  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 — 5 of approximately 5 results

PHUB000041 Score: 1.0	Gentiopicrin precursor	C₁₆H₂₀O₉ Mono mass: 356.110732224
PHUB000065 Score: 0.754	Monotropein precursor	C₁₆H₂₂O₁₁ Mono mass: 390.116211528
PHUB001683 Score: 0.727	Oleoside 11-methylester precursor	C₁₇H₂₄O₁₁ Mono mass: 404.131861593
PHUB001684 Score: 0.727	Oleoside dimethylester precursor	C₁₈H₂₆O₁₁ Mono mass: 418.147511657
PHUB000066 Score: 0.726	Monotropein (6,7-dihydro-) precursor	C₁₆H₂₄O₁₁ Mono mass: 392.131861593