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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

PHUB000631 Score: 1.0	Protocatechuic aldehyde precursor	C₇H₆O₃ Mono mass: 138.031694053
PHUB001260 Score: 1.0	Protocatechualdehyde 139-85-5 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000612 Score: 0.941	Gallic aldehyde precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB001998 Score: 0.857	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB000542 Score: 0.833	p-Hydroxybenzaldehyde 123-08-0 precursor metabolite	C₇H₆O₂ Mono mass: 122.036779433
PHUB000645 Score: 0.828	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB000310 Score: 0.8	Protocatechuic acid 99-50-3 precursor metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB000544 Score: 0.792	4-Methylcatechol precursor metabolite	C₇H₈O₂ Mono mass: 124.052429498
PHUB000303 Score: 0.762	Gallic acid 149-91-7 precursor metabolite	C₇H₆O₅ Mono mass: 170.021523293
PHUB000644 Score: 0.762	Syringaldehyde 134-96-3 precursor	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000567 Score: 0.741	Anisaldehyde (p-) precursor	C₈H₈O₂ Mono mass: 136.052429498
PHUB001268 Score: 0.741	4-Methoxybenzaldehyde metabolite	C₈H₈O₂ Mono mass: 136.052429498
PHUB000294 Score: 0.729	3-Hydroxybenzoic acid 99-06-9 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000538 Score: 0.722	4-Ethylcatechol precursor metabolite	C₈H₁₀O₂ Mono mass: 138.068079562
PHUB001286 Score: 0.714	Phloroglucinaldehyde 487-70-7 metabolite	C₇H₆O₄ Mono mass: 154.026608673
PHUB001276 Score: 0.706	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738