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Mrv2104 09152309062D

26 27  0  0  0  0            999 V2000
   -0.4529   -0.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8814    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8814    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8814   -0.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9922    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3424    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4046    3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755   -2.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612   -3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6901   -3.7126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -2.4748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046   -0.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9755    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  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
  2  8  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
  8  9  2  0  0  0  0
  1  8  1  0  0  0  0
 10 12  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 24  1  0  0  0  0
 16 25  1  0  0  0  0
 21 23  1  0  0  0  0
 15 26  1  0  0  0  0
 20  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 40 results

PHUB002626 Score: 1.0	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB001002 Score: 0.942	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB002613 Score: 0.897	2-hydroxy-p-menthan-7-oic acid glucuronide metabolite	C₁₆H₂₆O₉ Mono mass: 362.157682417
PHUB002625 Score: 0.895	9-hydroxy-p-menthan-7-oic acid-8-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003072 Score: 0.895	menthol-8-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB001016 Score: 0.887	Menthol glucuronide 79466-08-3 metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242
PHUB001021 Score: 0.887	8-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002624 Score: 0.887	8-hydroxy-p-menthan-7-oic acid-9-glucuronide metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB003074 Score: 0.887	menthol-9-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB003075 Score: 0.887	9-hydroxymenthol-3-glucuronide metabolite	C₁₆H₂₈O₈ Mono mass: 348.178417862
PHUB002630 Score: 0.86	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002615 Score: 0.855	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002092 Score: 0.851	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB002619 Score: 0.839	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.839	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002620 Score: 0.829	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002610 Score: 0.805	dihydroxy-p-mentha-8-en-7-oic acid glucuronide precursor	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB001003 Score: 0.791	Dihydroperillic acid glucuronide (cis-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB002614 Score: 0.783	hydroxy-p-menth-8-en-7-oic acid glucuronide I metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002621 Score: 0.774	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000949 Score: 0.77	Glycyrrhetinic acid 30-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB000992 Score: 0.769	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.769	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
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
PHUB002705 Score: 0.719	Perillic acid-8,9-diol glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB002045 Score: 0.715	Stevioside precursor	C₃₈H₆₀O₁₈ Mono mass: 804.377965092
PHUB002065 Score: 0.715	Dulcoside A precursor	C₃₈H₆₀O₁₇ Mono mass: 788.383050472