Chemical Structure Search

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Cyclokievitone
  Mrv2104 06072104322D

26 29  0  0  1  0            999 V2000
    5.9776    0.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0604    0.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679   -1.5681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256   -1.5396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5764   -1.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250   -0.3192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537    1.8001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2400    0.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2400   -0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7250    0.5399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256    0.9352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9776   -0.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8112    0.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4379   -0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    2.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5256   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5389    1.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8112   -0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386    2.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2288    1.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1540   -0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4347   -1.5595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8668   -0.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1475   -1.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8635   -1.5650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7186   -1.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  2  0  0  0  0
  4 16  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  1  0  0  0
  7 20  1  6  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 22 26  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 — 10 of approximately 10 results

PHUB001713 Score: 1.0	Cyclokievitone precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB001764 Score: 0.855	Glabridin 59870-68-7 precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001711 Score: 0.838	(-)-Phaseollinisoflavan precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB001766 Score: 0.801	Hispaglabridin A precursor	C₂₅H₂₈O₄ Mono mass: 392.198759382
PHUB001768 Score: 0.747	Kievitone precursor	C₂₀H₂₀O₆ Mono mass: 356.125988364
PHUB001710 Score: 0.734	(-)-Phaseollin precursor	C₂₀H₁₈O₄ Mono mass: 322.12050906
PHUB001361 Score: 0.721	2,3-Dihydrobiochanin A metabolite	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB001366 Score: 0.721	Dihydrogenistein metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001356 Score: 0.715	Dihydrodaidzein metabolite	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001364 Score: 0.715	Dihydroformononetin metabolite	C₁₆H₁₄O₄ Mono mass: 270.089208931