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Mrv2104 06072104342D

13 13  0  0  0  0            999 V2000
    3.5220    1.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 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 — 21 of approximately 21 results

PHUB001861 Score: 1.0	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB001276 Score: 0.958	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000316 Score: 0.945	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000313 Score: 0.934	Syringic acid 530-57-4 precursor metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB001218 Score: 0.932	veratric acid 93-07-2 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000303 Score: 0.887	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB001282 Score: 0.852	Methylvanillate metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000310 Score: 0.845	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002087 Score: 0.81	test	C₈H₈O₅ Mono mass: 184.037173358
PHUB000293 Score: 0.803	α-resorcylic acid 99-10-5 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002977 Score: 0.803	3,5-Dihydroxybenzoic acid metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000645 Score: 0.792	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB001998 Score: 0.789	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB000644 Score: 0.787	Syringaldehyde 134-96-3 precursor	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001279 Score: 0.772	Methyl-3,4-dihydroxybenzoate metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000306 Score: 0.762	Gallic acid ethyl ester precursor	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000294 Score: 0.761	3-Hydroxybenzoic acid 99-06-9 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB001258 Score: 0.728	2-Hydroxy-4-methoxybenzoic acid metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001889 Score: 0.726	Vanillyl alcohol 498-00-0 precursor metabolite	C₈H₁₀O₃ Mono mass: 154.062994182
PHUB000612 Score: 0.718	Gallic aldehyde precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000290 Score: 0.709	2,3-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000295 Score: 0.704	p-Hydroxybenzoic acid 99-96-7 precursor metabolite	C₇H₆O₃ Mono mass: 138.031694053