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Mrv2104 06072104182D

36 41  0  0  1  0            999 V2000
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8979    0.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    1.4924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9280    1.9049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9280    2.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    2.5724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4130    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    1.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6265    2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    3.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976    2.3174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1976    3.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6265    3.1424    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3410    3.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  3  1  0  0  0  0
  2  6  1  0  0  0  0
  6 14  1  1  0  0  0
  7 12  1  0  0  0  0
  7 18  1  6  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  8 35  1  0  0  0  0
  8 19  1  1  0  0  0
  9  1  1  0  0  0  0
  9  7  1  0  0  0  0
  9 20  1  1  0  0  0
 10  3  1  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
 10 21  1  1  0  0  0
 11 12  1  0  0  0  0
 22 11  1  0  0  0  0
 35 13  1  0  0  0  0
 15 13  1  0  0  0  0
 24 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  6  0  0  0
 31 17  1  0  0  0  0
 35 22  1  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  1  0  0  0
 24 26  1  0  0  0  0
 24 25  1  6  0  0  0
 26 31  1  0  0  0  0
 26 27  1  6  0  0  0
 28 29  1  0  0  0  0
 31 28  1  1  0  0  0
 29 33  1  0  0  0  0
 33 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  6  0  0  0
 33 34  1  1  0  0  0
 35 36  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 — 4 of approximately 4 results

PHUB000017 Score: 1.0	Sarsasapogenin precursor	C₂₇H₄₄O₃ Mono mass: 416.329045277
PHUB000011 Score: 0.833	Asparagoside A precursor	C₃₃H₅₄O₈ Mono mass: 578.381868699
PHUB000013 Score: 0.805	Capsicoside A precursor	C₆₃H₁₀₆O₃₅ Mono mass: 1422.651465113
PHUB000016 Score: 0.805	Officinalisnin I precursor	C₄₅H₇₆O₁₉ Mono mass: 920.498080227