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Mrv2104 06072104193D

16 15  0  0  0  0            999 V2000
   -5.4892    1.4405    1.5187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8002   -0.7397    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0416   -1.6480   -0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475   -1.2756    1.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6610    1.6625    0.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019   -0.0163   -1.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059    0.2618    0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9880    0.9912   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847    0.3506   -1.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046    0.1023   -1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105    0.7218    0.3417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553    0.5173    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.6638   -0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2763   -0.3656   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    0.0194    0.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    1.6027    0.3974 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  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

PHUB000148 Score: 1.0	Sinensal-alpha precursor	C₁₅H₂₂O Mono mass: 218.167065328
PHUB000149 Score: 0.791	Sinensal-beta precursor	C₁₅H₂₂O Mono mass: 218.167065328
PHUB000119 Score: 0.786	Farnesene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000118 Score: 0.721	Farnesal metabolite	C₁₅H₂₄O Mono mass: 220.182715393
PHUB001806 Score: 0.721	3,7-dimethyl-2,6-octadienedial metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691