Chemical Structure Search

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(-)-Phaseollidin
  Mrv2104 06072104322D

26 29  0  0  1  0            999 V2000
   10.1561  -12.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0191  -10.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7487  -13.9461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1583  -10.1072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0193  -11.7845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7072  -11.3743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3161  -11.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9717  -12.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3041  -11.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7173  -10.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3142  -10.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4742  -13.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1630  -11.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5788  -11.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2837  -13.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6280  -12.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5989  -10.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1298  -14.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8735  -10.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8634  -11.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5949  -14.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2506  -15.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4412  -15.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156  -16.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3518  -12.2496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3919  -10.8716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  6  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  6  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 11 17  2  0  0  0  0
 12 15  1  0  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  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 — 7 of approximately 7 results

PHUB001709 Score: 1.0	(-)-Phaseollidin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001714 Score: 0.849	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001712 Score: 0.844	(-)-Variabilin precursor	C₁₇H₁₆O₅ Mono mass: 300.099773615
PHUB001710 Score: 0.802	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906
PHUB001715 Score: 0.746	Pisatin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB002596 Score: 0.729	Tetrahydrodaidzein metabolite	C₁₅H₁₄O₄ Mono mass: 258.089208931
PHUB001766 Score: 0.706	Hispaglabridin A precursor	C₂₅H₂₈O₄ Mono mass: 392.198759382