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Mrv2104 06072104272D

21 23  0  0  0  0            999 V2000
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    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    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    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
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   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
   -1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  5  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  2  0  0  0  0
  6 16  1  0  0  0  0
  7 10  2  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 21  1  0  0  0  0
 15 21  1  0  0  0  0
 16 20  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

PHUB000885 Score: 1.0	Geraldone precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000871 Score: 0.964	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000910 Score: 0.95	Tricin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000880 Score: 0.942	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000859 Score: 0.933	7,3',4'-Trihydroxyflavone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000890 Score: 0.905	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000882 Score: 0.899	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000892 Score: 0.899	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000900 Score: 0.885	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000877 Score: 0.876	Cirsilineol precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002995 Score: 0.876	5,4′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000662 Score: 0.859	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000906 Score: 0.859	Sinensetin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB000860 Score: 0.858	7,4'-Dihydroxyflavone precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000878 Score: 0.856	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 0.856	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.856	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000857 Score: 0.856	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000862 Score: 0.853	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB001880 Score: 0.839	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB000886 Score: 0.838	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000861 Score: 0.835	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000657 Score: 0.833	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000872 Score: 0.822	Chrysin 5,7-dimethyl ether precursor	C₁₇H₁₄O₄ Mono mass: 282.089208931
PHUB000870 Score: 0.82	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000879 Score: 0.817	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000721 Score: 0.813	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000902 Score: 0.812	Pebrellin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB000905 Score: 0.808	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002988 Score: 0.807	5'-Demethylnobiletin 2174-59-6 metabolite	C₂₀H₂₀O₈ Mono mass: 388.115817604
PHUB000694 Score: 0.801	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.801	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662