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Mrv2104 05092313462D

25 27  0  0  0  0            999 V2000
   -0.6473    1.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617    1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3617    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473    0.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0671    1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4962    1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7816    1.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    1.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    1.5284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    1.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9251    3.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2106    2.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253    4.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541    3.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7818   -0.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473   -0.5339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0762    0.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0762    1.9410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    1.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3541    4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3 21  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  4 20  1  0  0  0  0
 15 17  1  0  0  0  0
  7 19  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 14 18  1  0  0  0  0
 18 25  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 — 30 of approximately 65 results

PHUB000878 Score: 1.0	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 1.0	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 1.0	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000877 Score: 0.98	Cirsilineol precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002995 Score: 0.98	5,4′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000900 Score: 0.967	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000906 Score: 0.962	Sinensetin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB000879 Score: 0.96	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000882 Score: 0.954	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000890 Score: 0.948	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000908 Score: 0.941	Tetramethylscutellarein precursor	C₁₉H₁₈O₆ Mono mass: 342.1103383
PHUB000909 Score: 0.926	Thymonin precursor	C₁₈H₁₆O₈ Mono mass: 360.084517475
PHUB000886 Score: 0.92	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000857 Score: 0.913	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000902 Score: 0.909	Pebrellin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB002989 Score: 0.909	3'-Demethylnobiletin metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB002991 Score: 0.909	3′,4′-didemethylnobiletin metabolite	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB000880 Score: 0.907	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB002988 Score: 0.904	5'-Demethylnobiletin 2174-59-6 metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB000901 Score: 0.893	Nobiletin precursor	C₂₁H₂₂O₈ Mono mass: 402.131467668
PHUB002990 Score: 0.893	4'-Demethylnobiletin metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB000910 Score: 0.89	Tricin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000884 Score: 0.89	Gardenin B precursor	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000871 Score: 0.889	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000907 Score: 0.879	Tangeretin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB002996 Score: 0.879	4 '-Demethyltangeretin metabolite	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000721 Score: 0.877	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000862 Score: 0.873	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB000892 Score: 0.867	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000905 Score: 0.867	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000656 Score: 0.862	Chrysosplenetin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB001880 Score: 0.86	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866