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Mrv2104 01252315552D

23 25  0  0  0  0            999 V2000
    1.7860    1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2144    1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0709   -1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573    0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858    0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858    1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144    0.6186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144   -1.0310    0.0000 O   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
  2  7  1  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
  5 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  1  0  0  0  0
 13 21  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  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 67 results

PHUB000652 Score: 1.0	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 1.0	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000672 Score: 0.933	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000658 Score: 0.919	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001876 Score: 0.911	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000694 Score: 0.91	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.91	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000671 Score: 0.903	Kaempferide precursor	C₁₆H₁₁O₆ Mono mass: 299.056111654
PHUB000693 Score: 0.903	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000905 Score: 0.872	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000657 Score: 0.871	Fisetin precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000662 Score: 0.86	Isorhamnetin precursor metabolite	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000721 Score: 0.86	Rhamnetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000868 Score: 0.859	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000857 Score: 0.857	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000692 Score: 0.847	3-O-Methylgalangin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000655 Score: 0.842	Axillarin precursor	C₁₇H₁₄O₈ Mono mass: 346.068867411
PHUB000886 Score: 0.828	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000884 Score: 0.827	Gardenin B precursor	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000647 Score: 0.821	3,7-Dimethylquercetin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000909 Score: 0.819	Thymonin precursor	C₁₈H₁₆O₈ Mono mass: 360.084517475
PHUB000907 Score: 0.818	Tangeretin precursor	C₂₀H₂₀O₇ Mono mass: 372.120902984
PHUB002996 Score: 0.818	4 '-Demethyltangeretin metabolite	C₁₉H₁₈O₇ Mono mass: 358.10525292
PHUB000900 Score: 0.815	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000648 Score: 0.814	3-Methoxynobiletin precursor	C₂₂H₂₄O₉ Mono mass: 432.142032353
PHUB000861 Score: 0.812	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000892 Score: 0.812	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB001871 Score: 0.809	Quercetin 4'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000659 Score: 0.807	Galangin 3,5,7-trimethyl ether precursor	C₁₈H₁₆O₅ Mono mass: 312.099773615
PHUB000902 Score: 0.805	Pebrellin precursor	C₁₉H₁₈O₈ Mono mass: 374.10016754