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Geranoate (trans-methyl)
  Mrv2104 06072104182D          
  Mrv0541 01091316342D          
 13 12  0  0  0  0            999 V2000
   -2.4501    1.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1646   -0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212    1.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3067    2.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4078    1.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1222    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8367    1.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5512    1.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1222    2.3140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  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 — 9 of approximately 9 results

PHUB000046 Score: 1.0	Geranoate (trans-methyl) precursor	C₁₁H₁₈O₂ Mono mass: 182.13067982
PHUB000043 Score: 0.833	Geranic acid (trans-) precursor	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001844 Score: 0.833	Geranic acid metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000942 Score: 0.8	Farnesoic acid metabolite	C₁₅H₂₄O₂ Mono mass: 236.177630013
PHUB001818 Score: 0.769	Hildebrand's acids metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931
PHUB001817 Score: 0.75	8-carboxygeraniol metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB000047 Score: 0.732	Geranyl acetate precursor	C₁₂H₂₀O₂ Mono mass: 196.146329884
PHUB001805 Score: 0.72	8-hydroxy-3,7-dimethyl-2,6-octadienal metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000921 Score: 0.717	Phytenic acid (trans-delta 2-) metabolite	C₂₀H₃₈O₂ Mono mass: 310.287180464
PHUB000922 Score: 0.717	Phytenic acid (cis-delta 2-) metabolite	C₂₀H₃₈O₂ Mono mass: 310.287180464