Chemical Structure Search

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Mrv2104 06072104342D

19 18  0  0  1  0            999 V2000
    5.2230   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101    2.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3651   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6506   -3.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6506   -3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5086    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2230    0.6188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9376    1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6521    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956    2.6812    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3665    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0810    2.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7956    3.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101    3.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
 15  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 17  3  0  0  0  0
 18 19  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 — 4 of approximately 4 results

PHUB001862 Score: 1.0	Falcarindiol 55297-87-5 precursor	C₁₇H₂₄O₂ Mono mass: 260.177630013
PHUB001863 Score: 0.902	Falcarinol 21852-80-2 precursor	C₁₇H₂₄O Mono mass: 244.182715393
PHUB001866 Score: 0.85	Falcarindiol 8-methyl ether precursor	C₁₈H₂₆O₂ Mono mass: 274.193280077
PHUB001869 Score: 0.836	Falcarinolone 18089-23-1 precursor	C₁₇H₂₂O₂ Mono mass: 258.161979948