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Mrv2104 06072104242D

11 11  0  0  0  0            999 V2000
 9980.8636 9979.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9980.1527 9978.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9979.4383 9979.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9978.7236 9978.6008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9978.7236 9977.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9979.4381 9977.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9980.1527 9977.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9978.0107 9977.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9981.5766 9978.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9979.4380 9976.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9980.1508 9976.1284    0.0000 C   0  0  0  0  0  0  0  0  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
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  2  1  1  0  0  0  0
  5  8  1  0  0  0  0
  1  9  2  0  0  0  0
  6 10  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 — 18 of approximately 18 results

PHUB000645 Score: 1.0	Vanillin 121-33-5 precursor	C₈H₈O₃ Mono mass: 152.047344118
PHUB001998 Score: 0.966	isovanillin 621-59-0 metabolite	C₈H₈O₃ Mono mass: 152.047344118
PHUB000644 Score: 0.921	Syringaldehyde 134-96-3 precursor	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000631 Score: 0.828	Protocatechuic aldehyde precursor	C₇H₆O₃ Mono mass: 138.031694053
PHUB001260 Score: 0.828	Protocatechualdehyde 139-85-5 metabolite	C₇H₆O₃ Mono mass: 138.031694053
PHUB000316 Score: 0.817	Vanillic acid 121-34-6 precursor metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB000612 Score: 0.817	Gallic aldehyde precursor	C₇H₆O₄ Mono mass: 154.026608673
PHUB001218 Score: 0.806	veratric acid 93-07-2 metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB001276 Score: 0.8	Isovanillic acid 645-08-9 metabolite	C₈H₈O₄ Mono mass: 168.042258738
PHUB001687 Score: 0.795	Piperonal precursor	C₈H₆O₃ Mono mass: 150.031694053
PHUB000567 Score: 0.793	Anisaldehyde (p-) precursor	C₈H₈O₂ Mono mass: 136.052429498
PHUB001268 Score: 0.793	4-Methoxybenzaldehyde metabolite	C₈H₈O₂ Mono mass: 136.052429498
PHUB001861 Score: 0.792	4'-O-Methylgallic acid 4319-02-2 precursor metabolite	C₈H₈O₅ Mono mass: 184.037173358
PHUB000313 Score: 0.763	Syringic acid 530-57-4 precursor metabolite	C₉H₁₀O₅ Mono mass: 198.052823422
PHUB000532 Score: 0.746	3-Methoxyacetophenone precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB000539 Score: 0.738	4-Ethylguaiacol precursor	C₉H₁₂O₂ Mono mass: 152.083729626
PHUB001282 Score: 0.734	Methylvanillate metabolite	C₉H₁₀O₄ Mono mass: 182.057908802
PHUB000599 Score: 0.725	Danielone 90426-22-5 precursor	C₁₀H₁₂O₅ Mono mass: 212.068473486
PHUB000547 Score: 0.716	4-Vinylguaiacol 7786-61-0 precursor	C₉H₁₀O₂ Mono mass: 150.068079562
PHUB001889 Score: 0.712	Vanillyl alcohol 498-00-0 precursor metabolite	C₈H₁₀O₃ Mono mass: 154.062994182