Chemical Structure Search

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Glycinol
  Mrv2104 06072104322D

21 24  0  0  0  0            999 V2000
    1.8728   -4.1559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269   -3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6029   -3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1569   -2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5350   -2.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3591   -2.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -2.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0455   -1.4876    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7261   -1.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016   -0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -0.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4250   -0.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722   -1.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -1.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8988   -1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -0.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5413   -0.0478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1147   -0.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824   -1.8585    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6573   -2.6740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4765   -2.3045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
  4 20  1  0  0  0  0
 19 21  1  6  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 — 9 of approximately 9 results

PHUB001714 Score: 1.0	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001712 Score: 0.993	(-)-Variabilin precursor	C₁₇H₁₆O₅ Mono mass: 300.099773615
PHUB001715 Score: 0.854	Pisatin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB001709 Score: 0.849	(-)-Phaseollidin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB002596 Score: 0.796	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001710 Score: 0.795	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906
PHUB003037 Score: 0.749	Trifolirhizin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000270 Score: 0.714	Afzelechin precursor	C₁₅H₁₄O₅ Mono mass: 274.084123551
PHUB001574 Score: 0.7	Gnetin C precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428