Chemical Structure Search

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137911
  Mrv2104 03092313212D

27 28  0  0  0  0            999 V2000
    7.1693  -16.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1681  -17.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8829  -17.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994  -17.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5965  -16.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8811  -15.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094  -15.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0254  -16.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7384  -15.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4545  -16.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7352  -15.0563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674  -15.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8833  -16.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5962  -15.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3123  -16.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3128  -17.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0280  -17.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7418  -17.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7360  -16.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0202  -15.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1642  -15.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4583  -17.5059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534  -17.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4475  -15.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4548  -15.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4546  -15.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4415  -15.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
 13 14  1  0  0  0  0
  5  7  1  0  0  0  0
 14 15  1  0  0  0  0
  3  4  2  0  0  0  0
 15 16  2  0  0  0  0
  7  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8  9  1  0  0  0  0
 18 19  1  0  0  0  0
  4  5  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
  9 10  1  0  0  0  0
 12 21  1  0  0  0  0
  2  3  1  0  0  0  0
 18 22  1  0  0  0  0
  9 11  2  0  0  0  0
  2 23  1  0  0  0  0
  5  6  2  0  0  0  0
 19 24  1  0  0  0  0
 10 12  1  0  0  0  0
  1 25  1  0  0  0  0
  6  1  1  0  0  0  0
 25 26  1  0  0  0  0
 12 13  1  0  0  0  0
 24 27  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 — 11 of approximately 11 results

PHUB002274 Score: 1.0	hexahydrocurcumin metabolite	C₂₁H₂₆O₆ Mono mass: 374.172938557
PHUB000616 Score: 0.957	Gingerol ([6]-) precursor	C₁₇H₂₆O₄ Mono mass: 294.183109317
PHUB000627 Score: 0.84	Paradol ([6]-) precursor	C₁₇H₂₆O₃ Mono mass: 278.188194697
PHUB002275 Score: 0.833	octahydrocurcumin metabolite	C₂₁H₂₈O₆ Mono mass: 376.188588622
PHUB002796 Score: 0.746	hexahydrocurcumin sulfate metabolite	C₂₁H₂₆O₉S Mono mass: 454.129753591
PHUB002781 Score: 0.738	4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002783 Score: 0.738	4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB001168 Score: 0.727	Dihydroferulic acid 1135-23-5 metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002451 Score: 0.72	3',4'-Dimethoxyphenylpropanoic acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931
PHUB001385 Score: 0.709	Secoisolariciresinol precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557
PHUB001433 Score: 0.707	Dihydroisoferulic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002140 Score: 0.707	3-(3'-hydroxy-4'-methoxyphenyl)propanoic acid metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866