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Mrv2104 03072313462D

15 16  0  0  0  0            999 V2000
    0.6005   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139   -0.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1139    0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005    0.8485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151    0.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3151   -0.3890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986   -0.6439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8986    0.6910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3835    0.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086    0.0234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005   -1.6266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296    0.8485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0296   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6005    1.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1535   -1.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  2  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 10  2  0  0  0  0
  5 12  2  0  0  0  0
  1 11  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 — 14 of approximately 14 results

PHUB002336 Score: 1.0	1,3,7-Trimethyluric acid 5415-44-1 metabolite	C₈H₁₀N₄O₃ Mono mass: 210.075290198
PHUB002403 Score: 0.97	3,7 dimethyluric acid 13087-49-5 metabolite	C₇H₈N₄O₃ Mono mass: 196.059640134
PHUB000789 Score: 0.955	Caffeine 58-08-2 precursor metabolite	C₈H₁₀N₄O₂ Mono mass: 194.080375578
PHUB002107 Score: 0.955	1,3-dimethyluric acid 944-73-0 metabolite	C₇H₈N₄O₃ Mono mass: 196.059640134
PHUB002534 Score: 0.947	1,7-dimethyluricacid 33868-03-0 metabolite	C₇H₈N₄O₃ Mono mass: 196.059640134
PHUB000790 Score: 0.925	Theobromine 83-67-0 precursor metabolite	C₇H₈N₄O₂ Mono mass: 180.064725514
PHUB002539 Score: 0.917	3-Methyluric acid 605-99-2 metabolite	C₆H₆N₄O₃ Mono mass: 182.043990069
PHUB000791 Score: 0.902	Theophylline 58-55-9 precursor metabolite	C₇H₈N₄O₂ Mono mass: 180.064725514
PHUB002406 Score: 0.902	Paraxanthine 611-59-6 precursor metabolite	C₇H₈N₄O₂ Mono mass: 180.064725514
PHUB002533 Score: 0.902	1-methyluric acid 708-79-2 metabolite	C₆H₆N₄O₃ Mono mass: 182.043990069
PHUB002538 Score: 0.895	7-methyluric acid metabolite	C₆H₆N₄O₃ Mono mass: 182.043990069
PHUB002535 Score: 0.865	3-methylxanthine 1076-22-8 metabolite	C₆H₆N₄O₂ Mono mass: 166.049075449
PHUB002340 Score: 0.85	1-methylxanthine 6136-37-4 metabolite	C₆H₆N₄O₂ Mono mass: 166.049075449
PHUB002536 Score: 0.842	7-methylxanthine 552-62-5 metabolite	C₆H₆N₄O₂ Mono mass: 166.049075449