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Mrv2104 06072104303D

34 38  0  0  0  0            999 V2000
    3.6927    0.1095    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7131    0.4076   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0366    0.0892    1.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4783    1.1694   -0.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3346    1.9772    1.3097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8430    2.8637   -0.8126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3582    0.4121    1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8267    1.4754   -1.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2665    3.2683    1.8499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7751    4.1338   -0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9291   -0.6175    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    0.4620   -0.9899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2403   -2.3688   -1.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3555   -3.0772    0.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260   -4.6757   -1.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.4729    0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3124    0.0732   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1275    1.7363   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -2.0351   -0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    1.1093   -0.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9864    4.3561    1.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5266   -3.6746   -2.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6372   -4.3637    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4137   -0.9256    1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9426    0.1409   -0.7903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8531   -0.7030    0.1733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3600   -0.5565    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663    0.4372   -0.7059 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1420    1.4267   -0.2856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162    5.6453    1.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5965   -3.8965   -3.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425   -5.3910    1.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8186   -1.6372    2.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    0.4308   -1.6054 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3 16  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  2  0  0  0  0
  5  9  2  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 18  2  0  0  0  0
  7 20  1  0  0  0  0
  8 20  2  0  0  0  0
  9 21  1  0  0  0  0
 10 21  2  0  0  0  0
 11 17  2  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  2  0  0  0  0
 13 19  2  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 23  2  0  0  0  0
 15 22  2  0  0  0  0
 15 23  1  0  0  0  0
 28 18  1  1  0  0  0
 26 19  1  6  0  0  0
 20 29  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 27  2  0  0  0  0
 24 33  1  0  0  0  0
 25 27  1  0  0  0  0
 25 34  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 34  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 — 19 of approximately 19 results

PHUB001574 Score: 1.0	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB002861 Score: 0.975	Gnetin L precursor metabolite	C₂₉H₂₄O₇ Mono mass: 484.152203113
PHUB001570 Score: 0.957	Rheumlhasol B precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000317 Score: 0.925	Viniferin (delta-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000318 Score: 0.905	Viniferin (Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB000338 Score: 0.905	Viniferin (cis-Epsilon-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001564 Score: 0.905	Viniferin (Omega-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428
PHUB001576 Score: 0.884	Scirpusin A precursor	C₂₈H₂₂O₇ Mono mass: 470.136553048
PHUB000342 Score: 0.874	Miyabenol C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001569 Score: 0.837	Rheumlhasol A precursor	C₄₃H₃₄O₈ Mono mass: 678.225368055
PHUB001557 Score: 0.81	trans-δ-viniferin sulfate metabolite	C₂₈H₂₂O₉S Mono mass: 534.098453462
PHUB000340 Score: 0.809	Viniferin-alpha precursor	C₄₂H₃₀O₉ Mono mass: 678.188982546
PHUB001566 Score: 0.772	Isohopeaphenol precursor	C₅₆H₄₂O₁₂ Mono mass: 906.267626792
PHUB001567 Score: 0.772	Hopeaphenol precursor	C₅₆H₄₂O₁₂ Mono mass: 906.267626792
PHUB001565 Score: 0.732	Ampelopsin C precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001575 Score: 0.732	Amuerensin G precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB000329 Score: 0.714	Viniferin 3',5'-diglucoside (Epsilon-) precursor	C₄₀H₄₂O₁₆ Mono mass: 778.247285272
PHUB000573 Score: 0.71	8,5'-Benzofuran diferulic acid precursor	C₂₀H₁₈O₈ Mono mass: 386.10016754
PHUB001714 Score: 0.7	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486