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Mrv2104 06072104272D

26 28  0  0  0  0            999 V2000
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 10 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 — 30 of approximately 63 results

PHUB000909 Score: 1.0	Thymonin precursor	C₁₈H₁₆O₈ Mono mass: 360.084517475
PHUB000902 Score: 0.982	Pebrellin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB002989 Score: 0.982	3'-Demethylnobiletin metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB002991 Score: 0.982	3′,4′-didemethylnobiletin metabolite	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB002988 Score: 0.976	5'-Demethylnobiletin 2174-59-6 metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB000901 Score: 0.964	Nobiletin precursor	C₂₁H₂₂O₈ Mono mass: 402.131467668
PHUB002990 Score: 0.964	4'-Demethylnobiletin metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB000884 Score: 0.963	Gardenin B precursor	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000907 Score: 0.952	Tangeretin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB002996 Score: 0.952	4 '-Demethyltangeretin metabolite	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000878 Score: 0.926	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 0.926	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.926	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000877 Score: 0.909	Cirsilineol precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002995 Score: 0.909	5,4′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002992 Score: 0.897	4′,5′-didemethylnobiletin metabolite	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB000900 Score: 0.895	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000906 Score: 0.893	Sinensetin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB000879 Score: 0.889	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000648 Score: 0.885	3-Methoxynobiletin precursor	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB000882 Score: 0.885	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000890 Score: 0.879	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000656 Score: 0.877	Chrysosplenetin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB000908 Score: 0.873	Tetramethylscutellarein precursor	C₁₉H₁₈O₆ Mono mass: 342.1103383
PHUB000647 Score: 0.864	3,7-Dimethylquercetin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000655 Score: 0.864	Axillarin precursor	C₁₇H₁₄O₈ Mono mass: 346.068867411
PHUB000649 Score: 0.863	3-Methoxysinensetin precursor	C₂₁H₂₂O₈ Mono mass: 402.131467668
PHUB000721 Score: 0.86	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000886 Score: 0.852	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000857 Score: 0.846	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB001876 Score: 0.841	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000880 Score: 0.84	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106