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Mrv2104 02282401132D

25 27  0  0  0  0            999 V2000
   -2.5223    1.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367    1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367    0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078    0.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8078    1.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3789    0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3788    1.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0933    1.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3355   -0.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0501   -1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7645   -0.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7646    0.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4790   -1.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9512    1.8518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789   -1.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932   -0.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223   -0.6232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6657    1.4393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0782    2.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3301    0.6856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4007    1.0647    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
  8 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
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
 14 17  1  0  0  0  0
 17 19  1  0  0  0  0
  7 20  2  0  0  0  0
  4 21  1  0  0  0  0
  2 18  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 25  1  0  0  0  0
 22 24  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 — 20 of approximately 20 results

PHUB001360 Score: 1.0	Biochanin A 7-O-sulfate metabolite	C₁₆H₁₂O₈S Mono mass: 364.02528852
PHUB002128 Score: 0.968	Genistein 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB002601 Score: 0.968	Genistein-4',7-disulfate metabolite	C₁₅H₁₀O₁₁S₂ Mono mass: 429.96645349
PHUB001363 Score: 0.943	Formononetin 7-O-sulfate metabolite	C₁₆H₁₂O₇S Mono mass: 348.0303739
PHUB002129 Score: 0.924	Genistein 4'-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB001355 Score: 0.905	Daidzein 7-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB002132 Score: 0.886	Daidzein 4'-O-sulfate metabolite	C₁₅H₁₀O₇S Mono mass: 334.014723836
PHUB000220 Score: 0.791	Biochanin A precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000230 Score: 0.767	Prunetin precursor	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB000225 Score: 0.759	Genistein precursor metabolite	C₁₅H₁₀O₅ Mono mass: 270.052823422
PHUB000224 Score: 0.753	Formononetin precursor	C₁₆H₁₂O₄ Mono mass: 268.073558866
PHUB003028 Score: 0.753	Apigenin 7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456
PHUB003035 Score: 0.746	Pratensein 2284-31-3 precursor	C₁₆H₁₂O₆ Mono mass: 300.063388106
PHUB002599 Score: 0.735	6-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002600 Score: 0.728	8-hydroxy-genistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB002598 Score: 0.725	3'-Hydroxygenistein metabolite	C₁₅H₁₀O₆ Mono mass: 286.047738042
PHUB000222 Score: 0.715	Daidzein precursor metabolite	C₁₅H₁₀O₄ Mono mass: 254.057908802
PHUB000227 Score: 0.712	Glycitein precursor metabolite	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB001365 Score: 0.71	Calycosin 20575-57-9 precursor metabolite	C₁₆H₁₂O₅ Mono mass: 284.068473486
PHUB003030 Score: 0.7	Baicalein-7-O-sulfate metabolite	C₁₅H₁₀O₈S Mono mass: 350.009638456