Chemical Structure Search

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Mrv2104 06072104262D

12 12  0  0  0  0            999 V2000
   32.1429  -15.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8575  -10.5460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.8575  -11.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1429  -11.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5719  -10.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1429  -10.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1429  -14.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1429  -12.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4285  -13.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8575  -13.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4285  -13.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8575  -13.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  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 — 4 of approximately 4 results

PHUB000778 Score: 1.0	Hordenine precursor	C₁₀H₁₅NO Mono mass: 165.115364107
PHUB000788 Score: 0.833	Tyramine precursor	C₈H₁₁NO Mono mass: 137.084063978
PHUB002331 Score: 0.773	Synephrine 94-07-5 precursor metabolite	C₉H₁₃NO₂ Mono mass: 167.094628663
PHUB000775 Score: 0.714	Dopamine precursor	C₈H₁₁NO₂ Mono mass: 153.078978598