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Mrv2104 06072104242D

13 13  0  0  1  0            999 V2000
   10.2467   -7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2467   -8.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322   -7.0374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5322   -8.6874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8178   -7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8178   -8.2749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9612   -8.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322   -9.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032   -8.6873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9993   -6.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9656   -6.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8216   -6.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461   -5.6159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  6  0  0  0
  6  9  1  6  0  0  0
  3 10  1  1  0  0  0
  3 11  1  6  0  0  0
 12 10  1  0  0  0  0
 13 10  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 — 8 of approximately 8 results

PHUB000633 Score: 1.0	Quinic acid precursor	C₇H₁₂O₆ Mono mass: 192.063388106
PHUB001013 Score: 0.849	Methane (3,8-dihydroxy-7-carboxylic acid) metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001018 Score: 0.849	3,8-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001012 Score: 0.811	3-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB003077 Score: 0.796	3-hydroxy-p-menthan-9-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB002612 Score: 0.778	2-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB002623 Score: 0.755	8,9-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000926 Score: 0.741	Hydroxyphytanic acid (alpha-) metabolite	C₂₀H₄₀O₃ Mono mass: 328.297745148
PHUB001020 Score: 0.727	Menthane (3-hydroxy-p-, 9-carboxylic acid) metabolite	C₁₁H₂₀O₃ Mono mass: 200.141244504