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Mrv2104 10012300042D

24 25  0  0  0  0            999 V2000
    9.0787  -10.6110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3616  -11.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7900  -11.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3557  -11.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7841  -11.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0668  -12.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6384  -12.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0609  -13.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4955  -12.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5015  -10.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2129  -11.0472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5074   -9.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6790   -6.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6733   -7.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3846   -7.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3786   -8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6614   -8.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502   -8.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2385   -8.9451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9559   -7.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611   -9.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8362   -9.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4833   -9.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6552  -10.6046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  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
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  2 24  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 38 results

PHUB002625 Score: 1.0	9-hydroxy-p-menthan-7-oic acid-8-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003072 Score: 1.0	menthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB001016 Score: 0.99	Menthol glucuronide 79466-08-3 metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB001021 Score: 0.99	8-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002624 Score: 0.99	8-hydroxy-p-menthan-7-oic acid-9-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003074 Score: 0.99	menthol-9-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB003075 Score: 0.99	9-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002613 Score: 0.962	2-hydroxy-p-menthan-7-oic acid glucuronide metabolite	C₁₆H₂₆O₉ Mono mass: 362.157682417
PHUB002630 Score: 0.919	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002610 Score: 0.896	dihydroxy-p-mentha-8-en-7-oic acid glucuronide precursor	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB002619 Score: 0.895	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002626 Score: 0.895	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB002628 Score: 0.895	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002620 Score: 0.885	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002615 Score: 0.879	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB001002 Score: 0.843	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB002621 Score: 0.821	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000992 Score: 0.815	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.815	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000161 Score: 0.785	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000182 Score: 0.785	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB000185 Score: 0.785	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.785	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.785	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB000188 Score: 0.779	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805
PHUB002614 Score: 0.772	hydroxy-p-menth-8-en-7-oic acid glucuronide I metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002092 Score: 0.761	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB003062 Score: 0.754	9-Hydroxyperillic acid-8-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB003079 Score: 0.75	Menthol-7-glucuronide metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB003081 Score: 0.75	8-Hydroxymenthol-7-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB003082 Score: 0.75	7-Hydroxymenthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB000184 Score: 0.745	Phaseoloside D precursor	C₆₅H₁₀₄O₃₁ Mono mass: 1380.656156569