Chemical Structure Search

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[6]-Gingerdione
  Mrv2104 06072104242D

21 21  0  0  0  0            999 V2000
   13.9492   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2347   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5203   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8058   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0913   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3768   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3768   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6624   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9479   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9479   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2334   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5190   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8045   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0900   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3755   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3755   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0900   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8045   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6611   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6611   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9466   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  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 — 5 of approximately 5 results

PHUB000614 Score: 1.0	Gingerdione ([6]-) precursor	C₁₇H₂₄O₄ Mono mass: 292.167459253
PHUB002273 Score: 0.927	Tetrahydrocurcumin metabolite	C₂₁H₂₄O₆ Mono mass: 372.157288493
PHUB000636 Score: 0.895	Shogaol ([6]-) precursor	C₁₇H₂₄O₃ Mono mass: 276.172544633
PHUB000615 Score: 0.86	Gingerenone A precursor	C₂₁H₂₄O₅ Mono mass: 356.162373873
PHUB002795 Score: 0.711	tetrahydrocurcumin sulfate metabolite	C₂₁H₂₄O₉S Mono mass: 452.114103527