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Mrv2104 02212310472D

14 14  0  0  0  0            999 V2000
   -0.5580    1.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -0.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564   -0.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564    0.7026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725    2.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564    2.3525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580   -1.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2725   -1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1862   -2.5928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1564   -1.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2489   -1.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  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
  1  7  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
  7  9  1  0  0  0  0
  7  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 — 13 of approximately 13 results

PHUB002623 Score: 1.0	8,9-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001012 Score: 0.844	3-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB002612 Score: 0.844	2-hydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB000926 Score: 0.841	Hydroxyphytanic acid (alpha-) metabolite	C₂₀H₄₀O₃ Mono mass: 328.297745148
PHUB003077 Score: 0.826	3-hydroxy-p-menthan-9-oic acid metabolite	C₁₀H₁₈O₃ Mono mass: 186.12559444
PHUB001020 Score: 0.822	Menthane (3-hydroxy-p-, 9-carboxylic acid) metabolite	C₁₁H₂₀O₃ Mono mass: 200.141244504
PHUB001013 Score: 0.809	Methane (3,8-dihydroxy-7-carboxylic acid) metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB001018 Score: 0.809	3,8-dihydroxy-p-menthan-7-oic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000936 Score: 0.78	3,7-Dimethyl-octan-1,8-dioic acid metabolite	C₁₀H₁₈O₄ Mono mass: 202.12050906
PHUB000927 Score: 0.775	Pristanic acid metabolite	C₁₉H₃₈O₂ Mono mass: 298.287180464
PHUB003068 Score: 0.756	Dihydromyrtenic acid metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000633 Score: 0.755	Quinic acid precursor	C₇H₁₂O₆ Mono mass: 192.063388106
PHUB000920 Score: 0.732	Phytanic acid metabolite	C₂₀H₄₀O₂ Mono mass: 312.302830528
PHUB000963 Score: 0.723	Carane 9,10-dicarboxylic acid metabolite	C₁₀H₁₄O₄ Mono mass: 198.089208931