Chemical Structure Search

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Mrv2104 06072104262D

20 22  0  0  0  0            999 V2000
    1.3069    3.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7359    3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4503    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8793    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937    3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3082    3.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0227    3.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0227    2.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6358    2.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3002    1.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4797    1.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3082    2.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937    2.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214    4.6197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6888    5.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6089    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    5.1046    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  7 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  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
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

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