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Mrv2104 06072104262D

11 11  0  0  0  0            999 V2000
 9999.8112 9999.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.5262 9999.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.2433 9999.9010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9448 9999.9010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.9448 9998.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0921 9999.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3777 9999.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6633 9999.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6632 9998.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3776 9998.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0921 9998.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9  5  1  0  0  0  0
  8  4  1  0  0  0  0
  1  6  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 — 9 of approximately 9 results

PHUB000775 Score: 1.0	Dopamine precursor	C₈H₁₁NO₂ Mono mass: 153.078978598
PHUB000538 Score: 0.833	4-Ethylcatechol precursor metabolite	C₈H₁₀O₂ Mono mass: 138.068079562
PHUB000788 Score: 0.833	Tyramine precursor	C₈H₁₁NO Mono mass: 137.084063978
PHUB000779 Score: 0.818	Noradrenaline (L-) precursor	C₈H₁₁NO₃ Mono mass: 169.073893218
PHUB001321 Score: 0.78	3'-Hydroxytyrosol 10597-60-1 precursor metabolite	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB001698 Score: 0.78	Hydroxytyrosol 10597-60-1 precursor	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB002105 Score: 0.75	test2	C₉H₁₂O₂ Mono mass: 152.083729626
PHUB000778 Score: 0.714	Hordenine precursor	C₁₀H₁₅NO Mono mass: 165.115364107
PHUB000544 Score: 0.704	4-Methylcatechol 452-86-8 precursor metabolite	C₇H₈O₂ Mono mass: 124.052429498
PHUB000539 Score: 0.703	4-Ethylguaiacol precursor	C₉H₁₂O₂ Mono mass: 152.083729626