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Mrv2104 06072104322D

26 28  0  0  0  0            999 V2000
 9997.8459 9999.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1319 9998.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8459 9997.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1319 9997.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1248 9999.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.1248 9997.5142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.8380 9997.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.700510001.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.413710001.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.274110002.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.987010001.2348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.272510001.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.558010001.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.557910000.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2724 9999.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.987010000.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4123 9997.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.4123 9998.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6977 9999.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6978 9997.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2725 9999.1659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.5580 9998.7534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.5580 9997.9283    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.2725 9997.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9870 9997.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9870 9998.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 17  1  0  0  0  0
 17  6  1  0  0  0  0
 18  5  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22  1  1  6  0  0  0
 21 15  1  1  0  0  0
 23  3  1  1  0  0  0
 19 26  2  0  0  0  0
 25 20  2  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 — 5 of approximately 5 results

PHUB001722 Score: 1.0	Cyclolariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB001727 Score: 1.0	Isolariciresinol precursor	C₂₀H₂₄O₆ Mono mass: 360.157288493
PHUB001721 Score: 0.78	Conidendrin precursor	C₂₀H₂₀O₆ Mono mass: 356.125988364
PHUB001385 Score: 0.739	Secoisolariciresinol precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557
PHUB001719 Score: 0.718	Anhydro-secoisolariciresinol precursor	C₂₀H₂₄O₅ Mono mass: 344.162373873
PHUB003022 Score: 0.707	Quebecol 1360605-46-4 precursor	C₂₄H₂₆O₇ Mono mass: 426.167853177