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Mrv2104 06072104332D

15 15  0  0  0  0            999 V2000
   -5.6792    1.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3937    1.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3937    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6792   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9648    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9648    1.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6792    2.3351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1082   -0.1400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2503   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5358    0.2725    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8214   -0.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    0.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2503   -0.9650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924   -0.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1069    1.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  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 — 6 of approximately 6 results

PHUB001384 Score: 1.0	2-(3,5-Dihydroxybenzamido)acetic acid metabolite	C₉H₉NO₅ Mono mass: 211.048072394
PHUB001161 Score: 0.967	3-Hydroxyhippuric acid 1637-75-8 metabolite	C₉H₉NO₄ Mono mass: 195.053157774
PHUB001334 Score: 0.842	4-Hydroxyhippuric acid 2482-25-9 metabolite	C₉H₉NO₄ Mono mass: 195.053157774
PHUB001581 Score: 0.792	Salicyluric acid 487-54-7 metabolite	C₉H₉NO₄ Mono mass: 195.053157774
PHUB001990 Score: 0.792	4ʹ-methoxyhippuric acid metabolite	C₁₀H₁₁NO₄ Mono mass: 209.068807838
PHUB001174 Score: 0.78	Hippuric acid 495-69-2 metabolite	C₉H₉NO₃ Mono mass: 179.058243154