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Mrv2104 06072104192D

11 11  0  0  0  0            999 V2000
10001.128310000.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.843010000.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.128310001.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.1769 9999.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7186 9998.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.701310000.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.986810000.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9868 9999.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7013 9998.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.4158 9999.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.415810000.1938    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
  6  7  1  0  0  0  0
  6 11  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
 10 11  1  0  0  0  0
  8  5  1  0  0  0  0
  8  4  1  0  0  0  0
 11  1  2  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 — 19 of approximately 19 results

PHUB000091 Score: 1.0	Terpineol-gamma precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000090 Score: 0.84	Terpineol-alpha precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001821 Score: 0.814	dihydrolinalool metabolite	C₁₀H₂₀O Mono mass: 156.151415264
PHUB000991 Score: 0.792	Limonene-8,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000108 Score: 0.782	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000972 Score: 0.761	Dihydrocarveol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000166 Score: 0.75	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.75	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000032 Score: 0.745	Carvomenthenol (4-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000087 Score: 0.745	Terpinen-4-ol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000956 Score: 0.745	Protopanaxatriol 1453-93-6 precursor metabolite	C₃₀H₅₂O₄ Mono mass: 476.386560154
PHUB002101 Score: 0.745	Protopanaxadiol precursor metabolite	C₃₀H₅₂O₃ Mono mass: 460.391645534
PHUB002077 Score: 0.714	Amyrin-(beta) 559-70-6 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB001848 Score: 0.712	Limonene-8,9-epoxide	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002627 Score: 0.712	8,9-epoxy-p-menth-1ene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000036 Score: 0.705	Citronellol precursor	C₁₀H₂₀O Mono mass: 156.151415264
PHUB000052 Score: 0.702	Linalool precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000072 Score: 0.702	Ocimenol-cis precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000073 Score: 0.702	Ocimenol-trans precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000990 Score: 0.7	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 0.7	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982