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Mrv2104 06072104212D

11 11  0  0  0  0            999 V2000
   -0.8703    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5847    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2993    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2993   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0137    0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0138   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1558    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1558    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586    0.4126    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
  6  1  1  0  0  0  0
  1  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 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 — 23 of approximately 23 results

PHUB000310 Score: 1.0	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000303 Score: 0.952	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB000294 Score: 0.9	3-Hydroxybenzoic acid 99-06-9 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB001276 Score: 0.882	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001279 Score: 0.87	Methyl-3,4-dihydroxybenzoate metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000293 Score: 0.857	α-resorcylic acid 99-10-5 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB002977 Score: 0.857	3,5-Dihydroxybenzoic acid metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000316 Score: 0.845	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001861 Score: 0.845	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB000295 Score: 0.833	p-Hydroxybenzoic acid 99-96-7 precursor metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB001218 Score: 0.833	veratric acid 93-07-2 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB002087 Score: 0.833	test	C₈H₈O₅ Mono mass: 184.037173358
PHUB000290 Score: 0.824	2,3-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB000631 Score: 0.8	Protocatechuic aldehyde precursor	C₇H₆O₃ Mono mass: 138.031694053
PHUB001260 Score: 0.8	Protocatechualdehyde 139-85-5 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000308 Score: 0.797	Gentisic acid 490-79-9 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000313 Score: 0.789	Syringic acid 530-57-4 precursor metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000306 Score: 0.779	Gallic acid ethyl ester precursor	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000612 Score: 0.762	Gallic aldehyde precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB001282 Score: 0.759	Methylvanillate metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001980 Score: 0.737	5-hydroxyanthranilic acid 394-31-0 metabolite	C₇H₇NO₃ Mono mass: 153.042593089
PHUB001828 Score: 0.73	3-hydroxy-4-(1-methylethyl)benzoic acid metabolite	C₁₀H₁₂O₃ Mono mass: 180.078644246
PHUB001998 Score: 0.706	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB000291 Score: 0.704	2,4-Dihydroxybenzoic acid precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB001129 Score: 0.704	2,4,6-Trihydroxybenzoic acid metabolite	C₇H₆O₅ Mono mass: 170.021523293