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Mrv2104 06072104192D

10 11  0  0  0  0            999 V2000
 9995.8400 9998.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.2526 9996.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5075 9997.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7375 9996.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.3881 9997.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.7750 9997.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2165 9998.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.6191 9997.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4276 9996.8328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.1726 9997.6173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
  9  8  1  1  0  0  0
  1 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  1  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 — 23 of approximately 23 results

PHUB000094 Score: 1.0	Thujene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000114 Score: 0.907	Cubebene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000030 Score: 0.878	Carene precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000079 Score: 0.875	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000113 Score: 0.833	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000152 Score: 0.833	Valencene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.833	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000142 Score: 0.822	Patchoulen-beta precursor	C₁₄H₂₂ Mono mass: 190.172150708
PHUB000051 Score: 0.81	Limonene precursor metabolite	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000103 Score: 0.81	Bisabolen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000101 Score: 0.804	African-2(6)-ene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000124 Score: 0.804	Gurjunene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000105 Score: 0.795	Cadinene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000107 Score: 0.795	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000123 Score: 0.795	Guaiene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000138 Score: 0.795	Muurolene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.795	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000128 Score: 0.761	Himachalen-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000129 Score: 0.761	Himachalen-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000147 Score: 0.761	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000117 Score: 0.721	Elemene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000106 Score: 0.714	Cadinene-delta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000151 Score: 0.714	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773