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Mrv2104 02152314072D

19 21  0  0  0  0            999 V2000
   -0.7804    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949    2.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6484   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6484    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7918    0.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9239    2.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5063   -0.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6484    2.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  2  0  0  0  0
  5 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
 14 18  1  0  0  0  0
 11  2  1  0  0  0  0
 10 19  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 — 10 of approximately 10 results

PHUB002596 Score: 1.0	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001774 Score: 0.86	Equol metabolite	C₁₅H₁₄O₃ Mono mass: 242.094294311
PHUB002597 Score: 0.852	5-Hydroxyequol metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001714 Score: 0.796	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001712 Score: 0.791	(-)-Variabilin precursor	C₁₇H₁₆O₅ Mono mass: 300.099773615
PHUB001356 Score: 0.729	Dihydrodaidzein metabolite	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001364 Score: 0.729	Dihydroformononetin metabolite	C₁₆H₁₄O₄ Mono mass: 270.089208931
PHUB001709 Score: 0.729	(-)-Phaseollidin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001361 Score: 0.724	2,3-Dihydrobiochanin A metabolite	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB001366 Score: 0.724	Dihydrogenistein metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486