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Glycyrrhetinic acid 30-O-glucuronide
  Mrv2104 06072104282D

46 51  0  0  1  0            999 V2000
    9.5939  -14.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8793  -15.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8793  -15.8704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5939  -16.2826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3085  -15.8704    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0689  -16.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7834  -15.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7834  -15.0459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.3085  -15.0459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0689  -13.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7834  -13.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2584  -12.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9730  -12.1601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7333  -12.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7333  -13.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0717  -16.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0520  -16.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3085  -14.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7918  -14.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5522  -15.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9821  -12.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1829  -11.4128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3581  -13.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1464  -16.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5610  -11.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4307  -11.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1485  -10.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6789  -10.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8686  -10.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0687   -9.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0682  -10.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2683   -9.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4580   -9.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8917  -10.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8547  -11.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7435   -9.3160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0180   -9.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2121   -8.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6015   -8.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0  0  0  0
 10  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 25  1  1  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4 23  1  6  0  0  0
  4 24  1  1  0  0  0
  3  2  1  0  0  0  0
  9 11  1  1  0  0  0
  9  8  1  0  0  0  0
  8  7  1  0  0  0  0
  8 14  1  0  0  0  0
  8 26  1  1  0  0  0
  7  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 15  1  0  0  0  0
 14 13  1  0  0  0  0
 14 27  1  6  0  0  0
 18 13  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 18 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 28  1  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 20 32  1  1  0  0  0
 21 22  1  0  0  0  0
 29 32  2  0  0  0  0
 30 11  2  0  0  0  0
  3 31  1  1  0  0  0
 20 33  1  0  0  0  0
 32 34  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 38  1  0  0  0  0
 38 36  1  0  0  0  0
 36 35  1  0  0  0  0
 35 37  1  0  0  0  0
 36 41  1  0  0  0  0
 38 42  1  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 35 34  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 43 results

PHUB000949 Score: 1.0	Glycyrrhetinic acid 30-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB000948 Score: 0.926	Glycyrrhetinic acid 3-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB002093 Score: 0.926	3 β-monoglucuronyl-18-β-glycyrrhetinic acid 34096-83-8 metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB000171 Score: 0.914	Glycyrrhizin precursor metabolite	C₄₂H₆₂O₁₆ Mono mass: 822.403785916
PHUB000161 Score: 0.841	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000951 Score: 0.841	Glycyrrhetinic acid 3-O-sulfate-30-glucuronide metabolite	C₃₆H₅₄O₁₃S Mono mass: 726.328512973
PHUB002092 Score: 0.831	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB000182 Score: 0.829	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB000188 Score: 0.824	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805
PHUB001002 Score: 0.818	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB000185 Score: 0.817	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.817	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.817	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB002528 Score: 0.813	Matesaponin 2 164178-27-2 precursor	C₅₃H₈₆O₂₁ Mono mass: 1058.566159789
PHUB002529 Score: 0.813	Matesaponin 3 164178-28-3 precursor	C₅₃H₈₆O₂₂ Mono mass: 1074.561074409
PHUB002530 Score: 0.813	Matesaponin 4 164178-29-4 precursor	C₅₉H₉₆O₂₆ Mono mass: 1220.618983211
PHUB002061 Score: 0.805	Villanovane I precursor	C₂₆H₄₀O₉ Mono mass: 496.267232868
PHUB002621 Score: 0.8	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000992 Score: 0.795	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.795	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000184 Score: 0.781	Phaseoloside D precursor	C₆₅H₁₀₄O₃₁ Mono mass: 1380.656156569
PHUB003062 Score: 0.778	9-Hydroxyperillic acid-8-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB002705 Score: 0.778	Perillic acid-8,9-diol glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB000189 Score: 0.774	Theasaponin precursor	C₅₉H₉₂O₂₇ Mono mass: 1232.582597702
PHUB002626 Score: 0.77	8,9-dihydroxy-p-menthan-7-oic acid glucuronide III metabolite	C₁₆H₂₆O₁₀ Mono mass: 378.152597037
PHUB000997 Score: 0.769	Perillic acid glucuronide metabolite	C₁₆H₂₂O₈ Mono mass: 342.131467668
PHUB002630 Score: 0.75	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002615 Score: 0.748	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002619 Score: 0.735	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.735	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB000994 Score: 0.731	Limonene-10-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB002620 Score: 0.727	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797