Chemical Structure Search

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Mrv2104 06072104323D

24 27  0  0  0  0            999 V2000
    5.5025   -1.4479   -0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9439    0.3873    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865    1.8992   -1.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4912    1.1531   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0955    1.1177   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1399    1.6771   -1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7041   -0.9570    1.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0093   -1.1447    1.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4224    1.3583   -0.1726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5274   -1.1720    0.1381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4078   -0.3308    1.5670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0638    1.1800   -0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9526   -0.0019    0.2101 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2245   -0.0048   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4078   -0.0489    0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399    0.0285    0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1552   -1.2037    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7848    0.7437   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    0.2587    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   -0.3923    0.2032 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.6116   -0.0181   -0.1823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4722   -2.3750    0.4639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -0.5088    1.4307 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357    0.5235   -0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8 20  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 19  2  0  0  0  0
 13 15  1  1  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 20 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 — 5 of approximately 5 results

PHUB001764 Score: 1.0	Glabridin 59870-68-7 precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001711 Score: 0.98	(-)-Phaseollinisoflavan precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001766 Score: 0.927	Hispaglabridin A precursor	C₂₅H₂₈O₄ Mono mass: 392.198759382
PHUB001713 Score: 0.855	Cyclokievitone precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB001710 Score: 0.83	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906