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Mrv2104 06072104352D

46 51  0  0  1  0            999 V2000
   16.4567  -15.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5408  -15.9163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2524  -13.7428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   22.6354  -13.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8373  -12.1459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0127  -10.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6032  -11.4269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.6061  -12.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4571  -13.5234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0656  -10.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4008  -15.6315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   17.9265  -16.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5902  -15.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7578  -17.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7045  -14.8442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9125  -17.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0671  -15.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3781  -16.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5135  -14.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8723  -15.1203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.5796  -16.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8401  -13.1638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.6325  -12.3654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   23.2231  -12.8043    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0155  -12.0058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.0184  -13.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2496  -12.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4543  -12.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2467  -11.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4515  -11.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8638  -12.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2439  -10.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0685  -11.8470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4486  -10.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8609  -11.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  6  0  0  0
  2 27  1  0  0  0  0
  3 31  1  0  0  0  0
 32  3  1  1  0  0  0
  4 31  2  0  0  0  0
  5 32  1  0  0  0  0
  5 35  1  0  0  0  0
 33  6  1  6  0  0  0
  6 38  1  0  0  0  0
 34  7  1  1  0  0  0
 36  8  1  6  0  0  0
  9 37  1  0  0  0  0
 10 38  2  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 20  1  6  0  0  0
 13 15  1  0  0  0  0
 13 19  1  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 26  1  6  0  0  0
 17 18  1  0  0  0  0
 18 27  1  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 28  1  0  0  0  0
 25 29  1  0  0  0  0
 25 30  1  1  0  0  0
 25 31  1  0  0  0  0
 28 29  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 36  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  2  0  0  0  0
 44 46  2  0  0  0  0
 45 46  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 — 13 of approximately 13 results

PHUB002059 Score: 1.0	Paniculoside VI precursor	C₃₅H₄₆O₁₁ Mono mass: 642.304012301
PHUB002060 Score: 0.839	Cofaryloside I precursor	C₃₃H₄₄O₁₂ Mono mass: 632.283276857
PHUB002061 Score: 0.72	Villanovane I precursor	C₂₆H₄₀O₉ Mono mass: 496.267232868
PHUB000507 Score: 0.716	1,2,2'-Triferuloylgentiobiose precursor	C₄₂H₄₆O₂₀ Mono mass: 870.258243881
PHUB000509 Score: 0.716	1,2-Diferuloylgentiobiose precursor	C₃₂H₃₈O₁₇ Mono mass: 694.210899764
PHUB000593 Score: 0.712	Coumaroyl glucose (p-) precursor	C₁₅H₁₈O₈ Mono mass: 326.10016754
PHUB000508 Score: 0.701	1,2,2'-Trisinapoylgentiobiose precursor	C₄₅H₅₂O₂₃ Mono mass: 960.289937934
PHUB000510 Score: 0.701	1,2'-Disinapoyl-2-feruloylgentiobiose precursor	C₄₄H₅₀O₂₂ Mono mass: 930.27937325
PHUB000511 Score: 0.701	1,2-Disinapoylgentiobiose precursor	C₃₄H₄₂O₁₉ Mono mass: 754.232029132
PHUB000515 Score: 0.701	1-Sinapoyl-2,2'-diferuloylgentiobiose precursor	C₄₃H₄₈O₂₁ Mono mass: 900.268808566
PHUB000516 Score: 0.701	1-Sinapoyl-2-feruloylgentiobiose precursor	C₃₃H₄₀O₁₈ Mono mass: 724.221464448
PHUB000176 Score: 0.701	maslinic acid (3-O-p-Coumaroyl-) precursor	C₃₉H₅₄O₆ Mono mass: 618.392039459
PHUB000177 Score: 0.701	maslinic acid (3-O-trans-p-Coumaroyl-) precursor	C₃₉H₅₄O₆ Mono mass: 618.392039459
PHUB000578 Score: 0.7	Caffeoyl glucose precursor	C₁₅H₁₈O₉ Mono mass: 342.09508216