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Mrv2104 06072104252D

22 24  0  0  0  0            999 V2000
 9999.6614 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0876 9998.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.805210002.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232110001.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.807810000.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.236710000.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5222 9999.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2366 9998.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710001.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.803210001.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088710001.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088610000.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8031 9999.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710000.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.662310000.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  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
 16 11  1  0  0  0  0
  8  6  1  0  0  0  0
 10  5  1  0  0  0  0
 12  3  1  0  0  0  0
 11  4  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
  1 20  2  0  0  0  0
 22 14  1  0  0  0  0
 21  2  1  0  0  0  0
 18  7  2  0  0  0  0
 10 19  2  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 69 results

PHUB000694 Score: 1.0	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 1.0	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000657 Score: 0.959	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000672 Score: 0.946	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000662 Score: 0.942	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000721 Score: 0.942	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000658 Score: 0.932	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000671 Score: 0.914	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000693 Score: 0.914	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000652 Score: 0.91	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.91	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000857 Score: 0.893	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB001876 Score: 0.886	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000647 Score: 0.886	3,7-Dimethylquercetin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000655 Score: 0.886	Axillarin precursor	C₁₇H₁₄O₈ Mono mass: 346.068867411
PHUB000892 Score: 0.884	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000859 Score: 0.85	7,3',4'-Trihydroxyflavone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001871 Score: 0.85	Quercetin 4'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000880 Score: 0.85	Diosmetin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000900 Score: 0.848	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000905 Score: 0.847	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000692 Score: 0.846	3-O-Methylgalangin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000656 Score: 0.845	Chrysosplenetin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754
PHUB001580 Score: 0.835	Quercetin 7-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000868 Score: 0.833	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000871 Score: 0.833	Chrysoeriol precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000890 Score: 0.832	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000649 Score: 0.831	3-Methoxysinensetin precursor	C₂₁H₂₂O₈ Mono mass: 402.131467668
PHUB001316 Score: 0.831	Quercetin 3'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000882 Score: 0.827	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855