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Mrv2104 06072104193D

16 15  0  0  0  0            999 V2000
    3.9150   -1.7006    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    1.8468   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1326   -0.9258   -0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8913   -0.4782    0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558   -0.5018   -0.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4789    0.1146    1.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4421    1.2193   -0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8867    0.6615    1.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5958    0.9740    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733    1.4589   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9095   -0.0731   -1.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0817   -2.1797   -1.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676    0.6735    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1427    0.5133   -0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5972   -0.8946   -0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7216   -2.9086   -0.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2 13  2  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  1  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 — 8 of approximately 8 results

PHUB000149 Score: 1.0	Sinensal-beta precursor	C₁₅H₂₂O Mono mass: 218.167065328
PHUB000118 Score: 0.861	Farnesal metabolite	C₁₅H₂₄O Mono mass: 220.182715393
PHUB001806 Score: 0.861	3,7-dimethyl-2,6-octadienedial metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000042 Score: 0.806	Geranial precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000069 Score: 0.806	Neral precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001804 Score: 0.806	Citral (E) precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000148 Score: 0.791	Sinensal-alpha precursor	C₁₅H₂₂O Mono mass: 218.167065328
PHUB000120 Score: 0.743	Farnesene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000942 Score: 0.711	Farnesoic acid metabolite	C₁₅H₂₄O₂ Mono mass: 236.177630013