Chemical Structure Search

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(-)-Variabilin
  Mrv2104 06072104322D

23 26  0  0  1  0            999 V2000
    5.1758   -0.8680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1332    1.5054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4698    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6513   -2.3245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3252    1.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7598    0.2758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0497   -0.0859    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3184   -0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8014    1.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815    0.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9581   -0.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4232    1.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1416   -0.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6480   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3963   -1.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    1.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5957   -0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2205   -1.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483    0.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4473   -2.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6138    1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4823   -0.4555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  6  3  1  1  0  0  0
  4 18  1  0  0  0  0
  4 21  1  0  0  0  0
  5 20  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  1  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 19  2  0  0  0  0
 15 18  2  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  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 — 8 of approximately 8 results

PHUB001712 Score: 1.0	(-)-Variabilin precursor	C₁₇H₁₆O₅ Mono mass: 300.099773615
PHUB001714 Score: 0.993	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001715 Score: 0.86	Pisatin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB001709 Score: 0.844	(-)-Phaseollidin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001710 Score: 0.8	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906
PHUB002596 Score: 0.791	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB003037 Score: 0.754	Trifolirhizin precursor	C₂₂H₂₂O₁₀ Mono mass: 446.121296908
PHUB000270 Score: 0.71	Afzelechin precursor	C₁₅H₁₄O₅ Mono mass: 274.084123551