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Mrv2104 06072104192D

16 17  0  0  0  0            999 V2000
 9998.934110001.4538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.218710001.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.649410001.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9341 9998.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.791210000.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.647410001.0366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.934110000.6192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.219610000.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2196 9999.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9341 9998.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.361110000.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.646610000.2067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6466 9999.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3611 9998.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0756 9999.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.075610000.2067    0.0000 C   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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  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
 15 16  1  0  0  0  0
  7  1  1  1  0  0  0
 10  4  1  0  0  0  0
 16  5  1  0  0  0  0
 10 13  2  0  0  0  0
  7 12  1  0  0  0  0
 12  6  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 — 26 of approximately 26 results

PHUB000106 Score: 1.0	Cadinene-delta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000105 Score: 0.848	Cadinene-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000138 Score: 0.848	Muurolene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000107 Score: 0.809	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.809	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000051 Score: 0.783	Limonene precursor metabolite	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000103 Score: 0.783	Bisabolen-beta precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000122 Score: 0.78	Germacrene B precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000126 Score: 0.776	Gurjunene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000113 Score: 0.766	Copaene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000152 Score: 0.766	Valencene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000153 Score: 0.766	Ylangene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000079 Score: 0.761	Pinene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000089 Score: 0.761	Terpinene-gamma precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000467 Score: 0.75	δ-Carotene 472-92-4 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000130 Score: 0.745	Humulene-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000128 Score: 0.74	Himachalen-alpha precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000129 Score: 0.74	Himachalen-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000147 Score: 0.74	Sesquiphellandrene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000123 Score: 0.735	Guaiene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000151 Score: 0.731	Trans-Muurola-4(14),5-diene precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000094 Score: 0.714	Thujene-alpha precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000349 Score: 0.714	α-carotene 432-70-2 precursor metabolite	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000092 Score: 0.711	Terpinolene precursor	C₁₀H₁₆ Mono mass: 136.125200515
PHUB000351 Score: 0.704	γ-Carotene 472-93-5 precursor	C₄₀H₅₆ Mono mass: 536.438201803
PHUB000117 Score: 0.702	Elemene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773