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Mrv2104 06072104192D

11 11  0  0  0  0            999 V2000
   -1.0491    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7636    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0491    0.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346    0.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346    1.6848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4780    0.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3798    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0943    1.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7923    2.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0326    2.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  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 — 23 of approximately 23 results

PHUB000090 Score: 1.0	Terpineol-alpha precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000991 Score: 0.942	Limonene-8,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000108 Score: 0.891	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000032 Score: 0.855	Carvomenthenol (4-) precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000087 Score: 0.855	Terpinen-4-ol precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001848 Score: 0.845	Limonene-8,9-epoxide 184488-93-5 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002627 Score: 0.845	8,9-epoxy-p-menth-1ene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000091 Score: 0.84	Terpineol-gamma precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000166 Score: 0.825	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.825	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB002077 Score: 0.789	Amyrin-(beta) 559-70-6 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000162 Score: 0.778	Barringtogenol C precursor	C₃₀H₅₀O₅ Mono mass: 490.36582471
PHUB000966 Score: 0.764	3-Carene-9-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003071 Score: 0.764	p-menthane-7,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000970 Score: 0.758	Carveol 99-48-9 / 2102-58-1 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000482 Score: 0.742	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000144 Score: 0.738	Rishitin precursor	C₁₄H₂₂O₂ Mono mass: 222.161979948
PHUB000993 Score: 0.732	Limonene-10-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001026 Score: 0.73	Verbenol (trans-) metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001824 Score: 0.73	Verbenol (cis-) 13040-03-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000469 Score: 0.726	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.726	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001821 Score: 0.714	dihydrolinalool 18479-51-1 metabolite	C₁₀H₂₀O Mono mass: 156.151415264
PHUB002075 Score: 0.712	Akhdarenol precursor	C₂₀H₃₂O Mono mass: 288.24531565