Chemical Structure Search

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Seselin
  Mrv2104 06072104202D

17 19  0  0  0  0            999 V2000
   14.8500   -9.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6962   -9.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1400   -9.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2937   -9.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9950  -10.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512  -10.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9950  -10.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500   -8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2937   -8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512  -10.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2937  -11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5925   -8.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6962  -11.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4387  -10.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4387  -10.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2312   -8.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1900   -9.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  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 — 1 of approximately 1 results

PHUB000248 Score: 1.0		Seselin precursor	C₁₄H₁₂O₃ Mono mass: 228.078644246