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Farnesol glucuronide
  Mrv2104 06072104272D

28 28  0  0  0  0            999 V2000
    3.0559   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704   -5.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0559   -6.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3415   -5.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4849   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1993   -5.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9138   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6282   -5.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9138   -6.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3427   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0572   -5.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7716   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4861   -5.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7716   -6.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2007   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9151   -5.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6296   -5.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4398   -6.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2398   -6.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2402   -5.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0402   -6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8504   -6.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4168   -5.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4538   -5.1141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5650   -6.8788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2904   -7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0964   -7.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7070   -7.6808    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  1  0  0  0  0
 20 18  1  0  0  0  0
 18 17  1  0  0  0  0
 17 19  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  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 — 25 of approximately 25 results

PHUB000938 Score: 1.0	Farnesol glucuronide metabolite	C₂₁H₃₄O₇ Mono mass: 398.230453435
PHUB002631 Score: 0.882	Perillyl-beta-D-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000971 Score: 0.864	Carveol glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000994 Score: 0.825	Limonene-10-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000997 Score: 0.789	Perillic acid glucuronide metabolite	C₁₆H₂₂O₈ Mono mass: 342.131467668
PHUB002621 Score: 0.787	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000992 Score: 0.781	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.781	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002705 Score: 0.776	Perillic acid-8,9-diol glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB003062 Score: 0.764	9-Hydroxyperillic acid-8-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB001820 Score: 0.744	linalool-glucuronic acid metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002620 Score: 0.744	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002630 Score: 0.744	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB000161 Score: 0.743	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000182 Score: 0.743	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB000185 Score: 0.743	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.743	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.743	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB000188 Score: 0.738	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805
PHUB000184 Score: 0.732	Phaseoloside D precursor	C₆₅H₁₀₄O₃₁ Mono mass: 1380.656156569
PHUB002619 Score: 0.728	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.728	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002615 Score: 0.717	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002611 Score: 0.717	8-hydroxyperillic acid-9-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB000189 Score: 0.704	Theasaponin precursor	C₅₉H₉₂O₂₇ Mono mass: 1232.582597702
PHUB002625 Score: 0.702	9-hydroxy-p-menthan-7-oic acid-8-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003072 Score: 0.702	menthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862