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Mrv2104 03222309462D

29 31  0  0  1  0            999 V2000
    3.2111    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    0.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182   -0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7966    0.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7823    1.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4894    1.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0894   -0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038   -1.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3967   -1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111   -2.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3249   -1.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0318   -1.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7535   -1.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7679   -0.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0606    0.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679    0.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174   -2.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4894    0.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9182    1.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.3120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7534    2.7121    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    2.2872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    3.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7678    1.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1967   -0.2622    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9182    0.1377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1824   -1.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751   -0.6621    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
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  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 16  1  0  0  0  0
 16 17  1  0  0  0  0
  7 17  1  0  0  0  0
 12 18  1  0  0  0  0
  1 20  1  0  0  0  0
 21  6  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 23  1  0  0  0  0
 14 19  1  0  0  0  0
 19 26  1  0  0  0  0
 26 29  2  0  0  0  0
 26 28  1  0  0  0  0
 26 27  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 — 30 of approximately 47 results

PHUB002823 Score: 1.0	Hesperetin-3’,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002820 Score: 0.983	Hesperetin-3',5-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB002821 Score: 0.983	Hesperetin-3’,5,7-tri-sulfate metabolite	C₁₆H₁₄O₁₄S₃ Mono mass: 525.954568653
PHUB002828 Score: 0.967	Hesperetin-5,7-di-sulfate metabolite	C₁₆H₁₄O₁₁S₂ Mono mass: 445.997753619
PHUB001104 Score: 0.951	Hesperetin-5-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002141 Score: 0.933	Hesperetin-7-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002143 Score: 0.899	Naringenin-7- sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB001094 Score: 0.894	Hesperetin-3'-sulfate metabolite	C₁₆H₁₄O₉S Mono mass: 382.035853205
PHUB002144 Score: 0.882	Naringenin-4'-sulfate metabolite	C₁₅H₁₂O₈S Mono mass: 352.02528852
PHUB000378 Score: 0.794	Eriodictyol precursor metabolite	C₁₅H₁₂O₆ Mono mass: 288.063388106
PHUB000380 Score: 0.794	Hesperetin 520-33-2 precursor metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB001033 Score: 0.79	(-)-Epicatechin 5-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB001054 Score: 0.79	4'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002312 Score: 0.79	(+)-epicatechin-5-sulfate	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB000399 Score: 0.789	Butin precursor	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB001105 Score: 0.786	Homoeriodictyol metabolite	C₁₆H₁₄O₆ Mono mass: 302.079038171
PHUB001050 Score: 0.782	3'-O-Methyl-(-)-epicatechin 5-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB001055 Score: 0.767	4'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB002147 Score: 0.767	(−)-Epicatechin-7-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB000396 Score: 0.763	Pinocembrin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001051 Score: 0.759	3'-O-Methyl-(-)-epicatechin 7-O-sulfate metabolite	C₁₆H₁₆O₉S Mono mass: 384.051503269
PHUB000382 Score: 0.758	Isosakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000387 Score: 0.758	Naringenin precursor metabolite	C₁₅H₁₂O₅ Mono mass: 272.068473486
PHUB000398 Score: 0.754	Sakuranetin precursor	C₁₆H₁₄O₅ Mono mass: 286.084123551
PHUB000386 Score: 0.753	Liquiritigenin precursor	C₁₅H₁₂O₄ Mono mass: 256.073558866
PHUB001030 Score: 0.747	(-)-Epicatechin 3'-O-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002313 Score: 0.747	(+)-epicatechin-3′-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002774 Score: 0.747	(-)Epi-catechin-5'-sulfate metabolite	C₁₅H₁₄O₉S Mono mass: 370.035853205
PHUB002835 Score: 0.745	Hesperetin-7-glucuronide-3’-sulfate metabolite	C₂₂H₂₂O₁₄S Mono mass: 542.073026562
PHUB002830 Score: 0.744	Hesperetin-5-glucuronide-3’,7-di-sulfate metabolite	C₂₂H₂₂O₁₇S₂ Mono mass: 622.029841596
PHUB002834 Score: 0.744	Hesperetin-7-glucuronide-3’,5-di-sulfate metabolite	C₂₂H₂₂O₁₇S₂ Mono mass: 622.029841596