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Mrv2104 06072104222D

21 23  0  0  0  0            999 V2000
    1.0716    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5007    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1924    0.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  7  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 10  9  1  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  6  1  0  0  0  0
 13  7  1  6  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20 13  1  0  0  0  0
 20 14  1  0  0  0  0
 10 21  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 66 results

PHUB000378 Score: 1.0	Eriodictyol precursor metabolite	C₁₅H₁₂O₆ Mono mass: 288.063388106
PHUB000380 Score: 1.0	Hesperetin 520-33-2 precursor metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB000399 Score: 0.993	Butin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001105 Score: 0.986	Homoeriodictyol metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB000382 Score: 0.932	Isosakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000387 Score: 0.932	Naringenin precursor metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000398 Score: 0.925	Sakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000386 Score: 0.925	Liquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB000396 Score: 0.925	Pinocembrin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001146 Score: 0.907	Tamarixetin metabolite	C₁₆H₁₄O₇ Mono mass: 318.073952791
PHUB001756 Score: 0.907	Taxifolin 480-18-2 precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001762 Score: 0.907	Dihydroquercetin precursor	C₁₅H₁₂O₇ Mono mass: 304.058302726
PHUB001878 Score: 0.877	Cerasinone 64166-14-9 precursor	C₁₈H₁₈O₆ Mono mass: 330.1103383
PHUB002141 Score: 0.854	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB000400 Score: 0.844	Garbanzol precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000375 Score: 0.829	Betagarin precursor	C₁₈H₁₆O₆ Mono mass: 328.094688235
PHUB001094 Score: 0.816	Hesperetin-3'-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB001104 Score: 0.811	Hesperetin-5-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002144 Score: 0.81	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB000372 Score: 0.795	6-Prenylnaringenin 68236-13-5 precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB002143 Score: 0.795	Naringenin-7- sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB002823 Score: 0.794	Hesperetin-3’,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002828 Score: 0.794	Hesperetin-5,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB000373 Score: 0.786	8-Prenylnaringenin precursor metabolite	C₂₀H₂₀O₅ Mono mass: 340.131073744
PHUB000374 Score: 0.786	6,8-Diprenylnaringenin precursor	C₂₅H₂₈O₅ Mono mass: 408.193674002
PHUB002820 Score: 0.781	Hesperetin-3',5-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002821 Score: 0.781	Hesperetin-3’,5,7-tri-sulfate metabolite	C₁₆H₁₄O₁₄S₃ Mono mass: 525.954568653
PHUB000401 Score: 0.78	Glabranin precursor	C₂₀H₂₀O₄ Mono mass: 324.136159124
PHUB000384 Score: 0.777	Isoxanthohumol 70872-29-6 precursor metabolite	C₂₁H₂₂O₅ Mono mass: 354.146723808
PHUB000261 Score: 0.774	(+)-Catechin 154-23-4 precursor	C₁₅H₁₄O₆ Mono mass: 290.079038171
PHUB002190 Score: 0.774	(−)-Catechin precursor metabolite	C₁₅H₁₄O₆ Mono mass: 290.079038171