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Mrv2104 06072104352D

56 61  0  0  1  0            999 V2000
    5.2311  -11.3993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9502  -10.9804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5277  -10.9804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2277  -12.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502  -10.1657    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6656  -11.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5277  -10.1657    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2022  -11.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318  -12.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2311   -9.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6656  -12.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8227   -9.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022  -12.5673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6098  -13.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6388  -15.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2007  -15.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690  -15.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8038  -13.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5156  -12.2532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5192  -13.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627  -11.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3443  -10.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529  -14.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3443  -11.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0627  -12.3539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3717   -9.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753  -11.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6900   -9.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  1  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 14 22  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  2  0  0  0  0
 18 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  2  0  0  0  0
 21 28  2  0  0  0  0
 22 29  1  0  0  0  0
 23 30  2  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 25 33  2  0  0  0  0
 26 34  2  0  0  0  0
 27 35  1  0  0  0  0
 28 36  1  0  0  0  0
 28 37  1  0  0  0  0
 29 38  1  0  0  0  0
 30 39  1  0  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
 32 42  1  0  0  0  0
 32 43  2  0  0  0  0
 34 44  1  0  0  0  0
 34 45  1  0  0  0  0
 35 46  1  0  0  0  0
 36 47  1  0  0  0  0
 39 48  1  0  0  0  0
 42 49  2  0  0  0  0
 43 50  1  0  0  0  0
 44 51  1  0  0  0  0
 49 52  1  0  0  0  0
 49 53  1  0  0  0  0
 50 54  1  0  0  0  0
 52 55  1  0  0  0  0
  7 10  1  0  0  0  0
 29 36  2  0  0  0  0
 31 39  2  0  0  0  0
 35 44  2  0  0  0  0
 50 52  2  0  0  0  0
 42 27  1  0  0  0  0
  5 56  1  4  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 — 15 of approximately 15 results

PHUB001975 Score: 1.0	Tellimagrandin I 79786-08-6 precursor	C₃₄H₂₆O₂₂ Mono mass: 786.091572477
PHUB000732 Score: 0.93	Casuarictin precursor	C₄₁H₂₈O₂₆ Mono mass: 936.086881022
PHUB000740 Score: 0.93	Potentillin precursor	C₄₁H₂₈O₂₆ Mono mass: 936.086881022
PHUB000739 Score: 0.909	Pedunculagin precursor	C₃₅H₂₆O₂₁ Mono mass: 782.096657857
PHUB000735 Score: 0.801	Lambertianin A precursor	C₈₂H₅₄O₅₂ Mono mass: 1870.158111979
PHUB000737 Score: 0.801	Lambertianin C 153059-16-6 precursor	C₁₂₃H₈₀O₇₈ Mono mass: 2804.229342936
PHUB000738 Score: 0.801	Lambertianin D precursor	C₁₆₄H₁₀₆O₁₀₄ Mono mass: 3738.300573893
PHUB000746 Score: 0.801	Sanguiin H-10 precursor	C₆₈H₄₈O₄₄ Mono mass: 1568.151844826
PHUB000747 Score: 0.801	Sanguiin H-2 precursor	C₄₈H₃₂O₃₁ Mono mass: 1104.09275425
PHUB000748 Score: 0.801	Sanguiin H-6 precursor	C₈₂H₅₄O₅₂ Mono mass: 1870.158111979
PHUB001758 Score: 0.797	Agrimoniin 82203-01-8 precursor	C₈₂H₅₄O₅₂ Mono mass: 1870.158111979
PHUB000745 Score: 0.795	Punigluconin precursor	C₃₄H₂₆O₂₄ Mono mass: 818.081401717
PHUB000736 Score: 0.762	Lambertianin B precursor	C₇₅H₅₀O₄₈ Mono mass: 1718.14715337
PHUB000733 Score: 0.717	Casuarinin precursor	C₄₁H₂₈O₂₆ Mono mass: 936.086881022
PHUB000730 Score: 0.714	Castalagin precursor	C₄₁H₂₆O₂₆ Mono mass: 934.071230957
PHUB000731 Score: 0.714	Castalin precursor	C₂₇H₂₀O₁₈ Mono mass: 632.064963804
PHUB000749 Score: 0.714	Vescalagin precursor	C₄₁H₂₆O₂₆ Mono mass: 934.071230957
PHUB000750 Score: 0.714	Vescalin precursor	C₂₇H₂₀O₁₈ Mono mass: 632.064963804
PHUB001425 Score: 0.708	Glucogallin precursor	C₁₃H₁₆O₁₀ Mono mass: 332.074346715