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Mrv2104 03082314042D

29 32  0  0  1  0            999 V2000
    0.2476    2.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    2.0482    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8429    1.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8849    0.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8912   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0662   -0.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506    0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1453   -0.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1417   -0.9153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543   -1.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706   -0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5742   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8615    0.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    1.8312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2043    2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3948   -1.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1981   -0.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0916   -2.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -2.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187   -1.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947   -2.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010   -1.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1944   -2.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459   -1.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1981   -0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1083   -0.0340    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
  4  5  2  0  0  0  0
  5  6  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
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  1  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
  6 29  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 — 3 of approximately 3 results

PHUB002682 Score: 1.0	Gomisin N precursor metabolite	C₂₃H₂₈O₆ Mono mass: 400.188588622
PHUB002681 Score: 0.892	Schisandrol B precursor metabolite	C₂₃H₂₈O₇ Mono mass: 416.183503242
PHUB002680 Score: 0.809	Schizandrin precursor metabolite	C₂₄H₃₂O₇ Mono mass: 432.21480337