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Mrv2104 03252415472D

24 26  0  0  0  0            999 V2000
   -3.2589    1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9733    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2589   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8299   -0.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1154    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300    1.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3134    1.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280    1.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3136    2.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4009    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8298   -0.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2590   -0.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6878   -0.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6878    1.6062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6878    2.4312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6878    3.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8628    2.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5128    2.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  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
 11 12  2  0  0  0  0
 16 11  1  0  0  0  0
  4 18  1  0  0  0  0
  7 17  2  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 22  1  0  0  0  0
  9 10  1  0  0  0  0
  6 10  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 31 results

PHUB003030 Score: 1.0	Baicalein-7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB003028 Score: 0.922	Apigenin 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB001874 Score: 0.872	Quercetin disulfate metabolite	C₁₅H₁₀O₁₃S₂ Mono mass: 461.95628273
PHUB001580 Score: 0.863	Quercetin 7-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB002987 Score: 0.859	Luteolin-3'-O-Sulfate metabolite	C₁₅H₁₀O₉S Mono mass: 366.004553076
PHUB001871 Score: 0.847	Quercetin 4'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB001316 Score: 0.829	Quercetin 3'-O-sulfate metabolite	C₁₅H₁₀O₁₀S Mono mass: 381.999467696
PHUB000905 Score: 0.777	Scutellarein precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000868 Score: 0.776	Baicalein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000857 Score: 0.756	6-Hydroxyluteolin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000886 Score: 0.741	Hispidulin precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000652 Score: 0.735	6,8-Dihydroxykaempferol precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB002780 Score: 0.735	Herbacetin 527-95-7 precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000861 Score: 0.723	Apigenin 520-36-5 precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000900 Score: 0.722	Nepetin precursor	C₁₆H₁₂O₇ Mono mass: 316.058302726
PHUB000870 Score: 0.721	Chrysin precursor	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB002128 Score: 0.719	Genistein 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB002601 Score: 0.719	Genistein-4',7-disulfate metabolite	C₁₅H₁₀O₁₁S₂ Mono mass: 429.96645349
PHUB000672 Score: 0.718	Kaempferol precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000693 Score: 0.717	Morin precursor	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000879 Score: 0.717	Cirsimaritin precursor	C₁₇H₁₄O₆ Mono mass: 314.079038171
PHUB000658 Score: 0.716	Galangin precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000892 Score: 0.715	Luteolin 491-70-3 precursor	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000890 Score: 0.71	Jaceosidin precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB001876 Score: 0.708	Betuletol 35214-88-1 precursor	C₁₇H₁₄O₇ Mono mass: 330.073952791
PHUB000882 Score: 0.707	Eupatilin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB000694 Score: 0.705	Myricetin precursor	C₁₅H₁₀O₈ Mono mass: 318.037567282
PHUB000702 Score: 0.705	Quercetin 117-39-5 precursor metabolite	C₁₅H₁₀O₇ Mono mass: 302.042652662
PHUB000908 Score: 0.705	Tetramethylscutellarein precursor	C₁₉H₁₈O₆ Mono mass: 342.1103383
PHUB000883 Score: 0.703	Eupatorin precursor	C₁₈H₁₆O₇ Mono mass: 344.089602855
PHUB002994 Score: 0.703	5,3′-didemethylsinensetin metabolite	C₁₈H₁₆O₇ Mono mass: 344.089602855