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Mrv2104 06072104322D

23 23  0  0  0  0            999 V2000
    2.1160   -2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015   -2.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -2.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015   -1.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6870   -0.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4015    0.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0398    1.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7370    1.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1551   -0.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983   -0.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660    3.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660    2.7272    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8805    2.3147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8805    1.4897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1660    1.0772    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1660    0.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4514    1.4897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4514    2.3147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7370    2.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5949    1.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094    1.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5949    0.2522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  1  0  0  0
 15 21  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 18  9  1  6  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 33 results

PHUB001820 Score: 1.0	linalool-glucuronic acid metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002621 Score: 0.806	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000994 Score: 0.805	Limonene-10-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000992 Score: 0.8	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.8	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002620 Score: 0.776	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000185 Score: 0.772	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.772	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.772	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB002611 Score: 0.77	8-hydroxyperillic acid-9-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB002631 Score: 0.77	Perillyl-beta-D-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000971 Score: 0.768	Carveol glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000188 Score: 0.766	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805
PHUB002614 Score: 0.76	hydroxy-p-menth-8-en-7-oic acid glucuronide I metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB000182 Score: 0.759	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB002619 Score: 0.758	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.758	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002610 Score: 0.75	dihydroxy-p-mentha-8-en-7-oic acid glucuronide precursor	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB002630 Score: 0.748	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB000161 Score: 0.746	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB002615 Score: 0.746	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB000938 Score: 0.744	Farnesol glucuronide metabolite	C₂₁H₃₄O₇ Mono mass: 398.230453435
PHUB003062 Score: 0.743	9-Hydroxyperillic acid-8-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB000184 Score: 0.722	Phaseoloside D precursor	C₆₅H₁₀₄O₃₁ Mono mass: 1380.656156569
PHUB002625 Score: 0.718	9-hydroxy-p-menthan-7-oic acid-8-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003072 Score: 0.718	menthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB000189 Score: 0.717	Theasaponin precursor	C₅₉H₉₂O₂₇ Mono mass: 1232.582597702
PHUB001016 Score: 0.712	Menthol glucuronide 79466-08-3 metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB001021 Score: 0.712	8-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002624 Score: 0.712	8-hydroxy-p-menthan-7-oic acid-9-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003074 Score: 0.712	menthol-9-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB003075 Score: 0.712	9-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862