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Trans-Muurola-4(14),5-diene
  Mrv2104 06072104192D          
  Mrv0541 01231310482D          
 15 16  0  0  0  0            999 V2000
   -1.3816    3.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0961    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3816    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    2.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    3.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6672    1.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    1.5635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8106    1.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    4.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0473    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7618    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    0.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  2  0  0  0  0
  8  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  5  9  1  0  0  0  0
  3 11  2  0  0  0  0
  8 12  1  6  0  0  0
 10 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  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 — 29 of approximately 29 results

PHUB000151 Score: 1.0	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000147 Score: 0.933	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000078 Score: 0.867	Phellandrene-beta precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000122 Score: 0.854	Germacrene B precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000152 Score: 0.844	Valencene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000350 Score: 0.837	β-Carotene 7235-40-7 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000349 Score: 0.811	α-carotene 432-70-2 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000107 Score: 0.809	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.809	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000113 Score: 0.804	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.804	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000351 Score: 0.804	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000467 Score: 0.782	δ-Carotene 472-92-4 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000105 Score: 0.771	Cadinene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000138 Score: 0.771	Muurolene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000079 Score: 0.761	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000154 Score: 0.76	Zingiberene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000051 Score: 0.745	Limonene precursor metabolite	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000103 Score: 0.745	Bisabolen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB001886 Score: 0.732	Retinal 116-31-4 metabolite	C₂₀H₂₈O Mono mass: 284.214015522
PHUB000106 Score: 0.731	Cadinene-delta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000114 Score: 0.725	Cubebene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000464 Score: 0.719	β-Apo-8'-carotenal 1107-26-2 precursor metabolite	C₃₀H₄₀O Mono mass: 416.307915908
PHUB001881 Score: 0.719	all-trans-retinol 11103-57-4 metabolite	C₂₀H₃₀O Mono mass: 286.229665586
PHUB000094 Score: 0.714	Thujene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000128 Score: 0.706	Himachalen-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000129 Score: 0.706	Himachalen-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000117 Score: 0.702	Elemene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000077 Score: 0.7	Phellandrene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515