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Mrv2104 06072104342D

11 11  0  0  0  0            999 V2000
    8.5663  -12.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2875  -11.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663  -12.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8556  -11.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9969  -12.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775  -13.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8510  -13.3191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433  -12.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9988  -12.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7123  -11.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7110  -10.8626    0.0000 O   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
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  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 — 11 of approximately 11 results

PHUB001889 Score: 1.0	Vanillyl alcohol 498-00-0 precursor metabolite	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB000316 Score: 0.775	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000539 Score: 0.774	4-Ethylguaiacol precursor	C₉H₁₂O₂ Mono mass: 152.083729626
PHUB001218 Score: 0.764	veratric acid 93-07-2 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001276 Score: 0.757	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001861 Score: 0.726	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB000313 Score: 0.724	Syringic acid 530-57-4 precursor metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000547 Score: 0.723	4-Vinylguaiacol 7786-61-0 precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB001440 Score: 0.716	Homovanillyl alcohol 2380-78-1 precursor	C₉H₁₂O₃ Mono mass: 168.078644246
PHUB000645 Score: 0.712	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB001998 Score: 0.708	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118