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Prunetin
  Mrv2104 06072104202D

21 23  0  0  0  0            999 V2000
   10.7820   -6.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820   -6.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0675   -5.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4965   -5.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4965   -7.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0675   -7.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531   -6.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2109   -6.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2109   -6.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4965   -8.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3531   -6.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0675   -8.1719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9254   -7.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6398   -6.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9254   -8.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3543   -7.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6398   -8.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3543   -8.1719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688   -8.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6386   -5.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9241   -6.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 20  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  1  0  0  0  0
 20 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 — 26 of approximately 26 results

PHUB000230 Score: 1.0	Prunetin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000220 Score: 0.962	Biochanin A precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000225 Score: 0.923	Genistein precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000224 Score: 0.915	Formononetin precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB003035 Score: 0.88	Pratensein 2284-31-3 precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB000222 Score: 0.869	Daidzein precursor metabolite	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB002598 Score: 0.857	3'-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002599 Score: 0.857	6-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000232 Score: 0.853	Sayanedine precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB001365 Score: 0.838	Calycosin 20575-57-9 precursor metabolite	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB002600 Score: 0.833	8-hydroxy-genistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000227 Score: 0.826	Glycitein precursor metabolite	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB001771 Score: 0.807	4',6,7-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001772 Score: 0.807	3',4',7-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002120 Score: 0.807	6-Hydroxydaidzein 17817-31-1 metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002122 Score: 0.807	3'-Hydroxydaidzein metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001358 Score: 0.806	2'-Hydroxydaidzein precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB001773 Score: 0.79	4',7,8-Trihydroxyisoflavanone precursor	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002121 Score: 0.79	8-Hydroxydaidzein 75187-63-2 metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB002129 Score: 0.769	Genistein 4'-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB003036 Score: 0.763	Pseudobaptigenin 90-29-9 precursor	C₁₆H₁₀O₅ Mono mass: 282.052823422
PHUB002128 Score: 0.736	Genistein 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB002601 Score: 0.736	Genistein-4',7-disulfate metabolite	C₁₅H₁₀O₁₁S₂ Mono mass: 429.96645349
PHUB002132 Score: 0.731	Daidzein 4'-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB000229 Score: 0.731	Licoisoflavone A precursor	C₂₀H₁₈O₆ Mono mass: 354.1103383
PHUB000862 Score: 0.728	Apigenin 7,4'-dimethyl ether precursor	C₁₇H₁₄O₅ Mono mass: 298.084123551
PHUB001355 Score: 0.717	Daidzein 7-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB001880 Score: 0.715	Tectochrysin 520-28-5 precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB000872 Score: 0.701	Chrysin 5,7-dimethyl ether precursor	C₁₇H₁₄O₄ Mono mass: 282.089208931