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Mrv2104 06072104332D

22 26  0  0  0  0            999 V2000
   -3.7564   -0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0418   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276   -0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3276    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132   -0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987   -0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429    0.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8987    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6132    1.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844    1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1844    1.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2629   -1.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4707   -0.6387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0951   -1.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0418    1.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7564    0.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3349    1.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289    1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    0.1199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092    0.9514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  1  2  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  8  1  0  0  0  0
  5  4  1  0  0  0  0
  3  6  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
  9 12  1  0  0  0  0
  8 11  1  0  0  0  0
 10  5  1  0  0  0  0
  2 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  2  0  0  0  0
 16 17  1  0  0  0  0
 17  1  1  0  0  0  0
  2  3  1  0  0  0  0
 16  4  1  0  0  0  0
  4 18  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  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

PHUB001716 Score: 1.0	Dehydrocafestol precursor	C₂₀H₂₆O₂ Mono mass: 298.193280077
PHUB000006 Score: 0.825	Cafestol 469-83-0 precursor	C₂₀H₂₈O₃ Mono mass: 316.203844762
PHUB000001 Score: 0.808	16-O-Methylcafestol precursor	C₂₁H₃₀O₃ Mono mass: 330.219494826
PHUB000914 Score: 0.752	Cafestol (2-hydroxy-) metabolite	C₂₀H₂₈O₄ Mono mass: 332.198759382
PHUB002032 Score: 0.738	isoKahweol precursor	C₂₀H₂₆O₃ Mono mass: 314.188194697
PHUB002029 Score: 0.734	Cafestol oleate precursor	C₃₈H₆₀O₄ Mono mass: 580.449160412
PHUB001717 Score: 0.724	Dehydrokahweol precursor	C₂₀H₂₄O₂ Mono mass: 296.177630013
PHUB002028 Score: 0.721	Cafestol linoleate precursor	C₃₈H₅₈O₄ Mono mass: 578.433510348
PHUB002030 Score: 0.71	Cafestol palmitate precursor	C₃₇H₆₀O₄ Mono mass: 568.449160412
PHUB002031 Score: 0.71	Cafestol stearate precursor	C₃₉H₆₄O₄ Mono mass: 596.480460541