Chemical Structure Search

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Mrv2104 06072104262D

21 23  0  0  0  0            999 V2000
    2.0064    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2919    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5775    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8515    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209    0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7209   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5659    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2804    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    0.4317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2644   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9949   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2804   -1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  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
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  2  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 14  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 — 2 of approximately 2 results

PHUB000843 Score: 1.0		Piperine precursor	C₁₇H₁₉NO₃ Mono mass: 285.136493476
PHUB000845 Score: 0.966		Trichostachine precursor	C₁₆H₁₇NO₃ Mono mass: 271.120843411