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Mrv2104 06072104192D

15 16  0  0  0  0            999 V2000
 9999.267510000.8221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.402010000.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1138 9999.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.402010001.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.556910001.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.556810000.4082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.8423 9999.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8423 9999.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5568 9998.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.979210000.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2647 9999.9958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.2647 9999.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9792 9998.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6937 9999.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.6937 9999.9958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  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
 14 15  1  0  0  0  0
  6  5  1  1  0  0  0
 15  2  1  6  0  0  0
  6 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11  1  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 — 28 of approximately 28 results

PHUB000152 Score: 1.0	Valencene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000107 Score: 0.95	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.95	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000113 Score: 0.949	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.949	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000105 Score: 0.902	Cadinene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000138 Score: 0.902	Muurolene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000079 Score: 0.897	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000051 Score: 0.875	Limonene precursor metabolite	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000103 Score: 0.875	Bisabolen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000151 Score: 0.844	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000114 Score: 0.841	Cubebene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000094 Score: 0.833	Thujene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000117 Score: 0.825	Elemene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000128 Score: 0.818	Himachalen-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000129 Score: 0.818	Himachalen-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000147 Score: 0.818	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000030 Score: 0.81	Carene precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000142 Score: 0.8	Patchoulen-beta precursor	C₁₄H₂₂ Mono mass: 190.172150708
PHUB000123 Score: 0.773	Guaiene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000106 Score: 0.766	Cadinene-delta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000078 Score: 0.75	Phellandrene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000122 Score: 0.745	Germacrene B precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000350 Score: 0.729	β-Carotene 7235-40-7 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000101 Score: 0.708	African-2(6)-ene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000124 Score: 0.708	Gurjunene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000126 Score: 0.702	Gurjunene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000351 Score: 0.7	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803