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Mrv2104 06072104312D

20 22  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    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
    5.0013    1.2375    0.0000 C   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
    5.7158    0.0000    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
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   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
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    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
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  3 10  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  2  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 14  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 15 18  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 — 23 of approximately 23 results

PHUB001705 Score: 1.0	Rubrofusarin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001880 Score: 0.784	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB000862 Score: 0.772	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB000872 Score: 0.766	Chrysin 5,7-dimethyl ether precursor	C₁₇H₁₄O₄ Mono mass: 282.089208931
PHUB000870 Score: 0.748	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000886 Score: 0.746	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000879 Score: 0.74	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000861 Score: 0.737	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001679 Score: 0.735	Isogentisin precursor	C₁₄H₁₀O₅ Mono mass: 258.052823422
PHUB000880 Score: 0.732	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB001678 Score: 0.731	Gentisin precursor	C₁₄H₁₀O₅ Mono mass: 258.052823422
PHUB000908 Score: 0.725	Tetramethylscutellarein precursor	C₁₉H₁₈O₆ Mono mass: 342.1103383
PHUB000868 Score: 0.725	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000900 Score: 0.723	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000910 Score: 0.719	Tricin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000871 Score: 0.717	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000905 Score: 0.714	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000878 Score: 0.711	Cirsiliol precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000883 Score: 0.711	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.711	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000890 Score: 0.709	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000671 Score: 0.705	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000882 Score: 0.704	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000892 Score: 0.702	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042