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Phytenic acid (trans-delta 2-)
  Mrv2104 06072104272D

23 22  0  0  1  0            999 V2000
   11.9573   -6.7979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2491   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9573   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5376   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8192   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111   -6.7979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3961   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6248   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4571   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123   -5.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8696   -6.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8696   -5.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6946   -5.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4571   -4.6545    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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19  6  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 — 11 of approximately 11 results

PHUB000921 Score: 1.0	Phytenic acid (trans-delta 2-) metabolite	C₂₀H₃₈O₂ Mono mass: 310.287180464
PHUB000922 Score: 1.0	Phytenic acid (cis-delta 2-) metabolite	C₂₀H₃₈O₂ Mono mass: 310.287180464
PHUB000043 Score: 0.844	Geranic acid (trans-) precursor	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001844 Score: 0.844	Geranic acid metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000942 Score: 0.809	Farnesoic acid metabolite	C₁₅H₂₄O₂ Mono mass: 236.177630013
PHUB000933 Score: 0.782	3,7-Dimethyl-2-octaen-1,8-dioic acid metabolite	C₁₀H₁₆O₄ Mono mass: 200.104858995
PHUB001818 Score: 0.776	Hildebrand's acids metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931
PHUB001817 Score: 0.755	8-carboxygeraniol metabolite	C₁₀H₁₆O₃ Mono mass: 184.109944375
PHUB000197 Score: 0.744	Phytol precursor	C₂₀H₄₀O Mono mass: 296.307915908
PHUB001805 Score: 0.723	8-hydroxy-3,7-dimethyl-2,6-octadienal metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000046 Score: 0.717	Geranoate (trans-methyl) precursor	C₁₁H₁₈O₂ Mono mass: 182.13067982
PHUB000935 Score: 0.709	3,7-Dimethyl-2,7-decadien-1,10-dioic acid metabolite	C₁₂H₁₈O₄ Mono mass: 226.12050906