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Mrv2104 06072104192D

17 18  0  0  1  0            999 V2000
   22.7121   -2.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9979   -2.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2831   -2.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4269   -2.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1409   -2.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1404   -3.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4256   -3.7901    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.2825   -3.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9966   -3.7890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.2452   -4.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1795   -4.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9986   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8545   -3.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0265   -5.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4500   -4.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2647   -4.2170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1436   -4.2045    0.0000 H   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
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
  9 16  1  1  0  0  0
  7 17  1  6  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 — 15 of approximately 15 results

PHUB000111 Score: 1.0	Caryophyllen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000132 Score: 1.0	Isocaryophyllene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000051 Score: 0.786	Limonene precursor metabolite	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000103 Score: 0.786	Bisabolen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000128 Score: 0.778	Himachalen-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000079 Score: 0.762	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000129 Score: 0.739	Himachalen-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000117 Score: 0.738	Elemene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000105 Score: 0.733	Cadinene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000107 Score: 0.733	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000123 Score: 0.733	Guaiene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000138 Score: 0.733	Muurolene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.733	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000113 Score: 0.727	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.727	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773