Chemical Structure Search

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(-)-Phaseollin
  Mrv2104 06072104322D

26 30  0  0  0  0            999 V2000
    2.7231   -0.1690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5458    2.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3167   -1.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    2.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443    1.0014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5584    0.6055    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8329    0.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5108   -0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8378    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9853   -0.9267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313    1.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    0.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064   -0.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9674   -2.3230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1419   -0.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1037    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178   -1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1120   -2.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906    2.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6895   -2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0471   -3.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3529    0.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463    1.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0006    1.3313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947    0.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  2  0  0  0  0
 11 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 21  1  1  0  0  0
 15 22  1  6  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 20 24  2  0  0  0  0
 23 24  1  0  0  0  0
  5 25  1  6  0  0  0
  6 26  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 — 11 of approximately 11 results

PHUB001710 Score: 1.0	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906
PHUB001711 Score: 0.833	(-)-Phaseollinisoflavan precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001764 Score: 0.83	Glabridin 59870-68-7 precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001709 Score: 0.802	(-)-Phaseollidin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001712 Score: 0.8	(-)-Variabilin precursor	C₁₇H₁₆O₅ Mono mass: 300.099773615
PHUB001714 Score: 0.795	Glycinol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001766 Score: 0.788	Hispaglabridin A precursor	C₂₅H₂₈O₄ Mono mass: 392.198759382
PHUB001713 Score: 0.734	Cyclokievitone precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB001570 Score: 0.722	Rheumlhasol B precursor	C₄₂H₃₂O₉ Mono mass: 680.20463261
PHUB001715 Score: 0.721	Pisatin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000317 Score: 0.714	Viniferin (delta-) precursor	C₂₈H₂₂O₆ Mono mass: 454.141638428