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121887
  Mrv2104 03092313232D

27 28  0  0  0  0            999 V2000
   -4.7488  -21.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7499  -21.8618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0350  -22.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3186  -21.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3214  -21.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0368  -20.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6085  -20.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8925  -21.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1795  -20.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4634  -21.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1825  -19.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2495  -20.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9655  -21.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785  -20.5994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3945  -21.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950  -21.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1101  -22.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240  -21.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8183  -20.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1025  -20.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463  -19.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407  -22.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4647  -22.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5298  -20.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4633  -20.6220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4635  -19.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238  -19.7540    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  1  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 — 12 of approximately 12 results

PHUB002275 Score: 1.0	octahydrocurcumin metabolite	C₂₁H₂₈O₆ Mono mass: 376.188588622
PHUB002274 Score: 0.833	hexahydrocurcumin metabolite	C₂₁H₂₆O₆ Mono mass: 374.172938557
PHUB001385 Score: 0.802	Secoisolariciresinol precursor	C₂₀H₂₆O₆ Mono mass: 362.172938557
PHUB000616 Score: 0.792	Gingerol ([6]-) precursor	C₁₇H₂₆O₄ Mono mass: 294.183109317
PHUB001697 Score: 0.775	7-Hydroxysecoisolariciresinol precursor	C₂₀H₂₆O₇ Mono mass: 378.167853177
PHUB001719 Score: 0.755	Anhydro-secoisolariciresinol precursor	C₂₀H₂₄O₅ Mono mass: 344.162373873
PHUB000627 Score: 0.731	Paradol ([6]-) precursor	C₁₇H₂₆O₃ Mono mass: 278.188194697
PHUB001168 Score: 0.71	Dihydroferulic acid 1135-23-5 metabolite	C₁₀H₁₂O₄ Mono mass: 196.073558866
PHUB002797 Score: 0.707	Octahydrocurcumin sulfate metabolite	C₂₁H₂₈O₉S Mono mass: 456.145403656
PHUB002781 Score: 0.706	4-Hydroxy-5-(3'-hydroxy- 4'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002783 Score: 0.706	4-Hydroxy-5-(4'-hydroxy- 3'-methoxyphenyl)valeric acid metabolite	C₁₂H₁₆O₅ Mono mass: 240.099773615
PHUB002451 Score: 0.702	3',4'-Dimethoxyphenylpropanoic acid metabolite	C₁₁H₁₄O₄ Mono mass: 210.089208931