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Mrv2104 02212311012D

26 27  0  0  0  0            999 V2000
   -0.0553   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698   -2.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698   -1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553   -3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7698   -4.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -4.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735   -3.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4843   -1.4437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    3.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    1.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    2.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    3.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0553    4.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3735    4.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4840    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1659    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6590   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8 10  2  0  0  0  0
  8  9  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 26  1  0  0  0  0
 26  1  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 — 30 of approximately 37 results

PHUB002610 Score: 1.0	dihydroxy-p-mentha-8-en-7-oic acid glucuronide precursor	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB001016 Score: 0.906	Menthol glucuronide 79466-08-3 metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB001021 Score: 0.906	8-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002624 Score: 0.906	8-hydroxy-p-menthan-7-oic acid-9-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003074 Score: 0.906	menthol-9-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB003075 Score: 0.906	9-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002625 Score: 0.896	9-hydroxy-p-menthan-7-oic acid-8-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003072 Score: 0.896	menthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002613 Score: 0.881	2-hydroxy-p-menthan-7-oic acid glucuronide metabolite	C₁₆H₂₆O₉ Mono mass: 362.157682417
PHUB002614 Score: 0.838	hydroxy-p-menth-8-en-7-oic acid glucuronide I metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002630 Score: 0.826	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002619 Score: 0.821	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.821	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB003080 Score: 0.818	7-Hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB003083 Score: 0.818	7,8-Dihydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002620 Score: 0.81	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB003079 Score: 0.808	Menthol-7-glucuronide metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB003081 Score: 0.808	8-Hydroxymenthol-7-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB003082 Score: 0.808	7-Hydroxymenthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002615 Score: 0.807	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002626 Score: 0.805	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB000992 Score: 0.762	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.762	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000161 Score: 0.762	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000185 Score: 0.762	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.762	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.762	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB001002 Score: 0.76	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB002611 Score: 0.76	8-hydroxyperillic acid-9-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB002621 Score: 0.754	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB001820 Score: 0.75	linalool-glucuronic acid metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB000182 Score: 0.735	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383