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Mrv2104 06302111452D

46 51  0  0  0  0            999 V2000
   -2.5101    2.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5916    2.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8968   -0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0848    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1526    2.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538    2.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973    2.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7348    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9098    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276    2.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0401    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8026    2.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5651    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9776    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7401    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6223   -0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2098   -1.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2098    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848   -1.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7348    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0401    0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7401    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3276   -0.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4473   -0.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6223   -1.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6223    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1473   -1.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848   -2.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473    0.5523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586   -0.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9723   -0.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 13 12  1  0  0  0  0
 15 14  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 16  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 20  1  0  0  0  0
 28 26  1  0  0  0  0
 29 25  1  0  0  0  0
 31  1  1  0  0  0  0
 31  2  1  0  0  0  0
 31 21  1  0  0  0  0
 31 22  1  0  0  0  0
 32  3  1  0  0  0  0
 32 12  1  0  0  0  0
 32 14  1  0  0  0  0
 32 19  1  0  0  0  0
 33  4  1  0  0  0  0
 33 13  1  0  0  0  0
 33 17  1  0  0  0  0
 33 30  1  0  0  0  0
 34  5  1  0  0  0  0
 34 10  1  0  0  0  0
 34 21  1  0  0  0  0
 34 27  1  0  0  0  0
 35  6  1  0  0  0  0
 35 15  1  0  0  0  0
 35 18  1  0  0  0  0
 36  7  1  0  0  0  0
 36 11  1  0  0  0  0
 36 27  1  0  0  0  0
 36 35  1  0  0  0  0
 37 20  2  0  0  0  0
 38 23  1  0  0  0  0
 39 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41 28  2  0  0  0  0
 42 28  1  0  0  0  0
 43 30  2  0  0  0  0
 44 30  1  0  0  0  0
 45 22  1  0  0  0  0
 45 29  1  0  0  0  0
 46 26  1  0  0  0  0
 46 29  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 44 results

PHUB000948 Score: 1.0	Glycyrrhetinic acid 3-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB002093 Score: 1.0	3 β-monoglucuronyl-18-β-glycyrrhetinic acid 34096-83-8 metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB000171 Score: 0.986	Glycyrrhizin precursor metabolite	C₄₂H₆₂O₁₆ Mono mass: 822.403785916
PHUB000949 Score: 0.926	Glycyrrhetinic acid 30-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB000161 Score: 0.908	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000182 Score: 0.894	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB000188 Score: 0.888	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805
PHUB000185 Score: 0.881	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.881	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.881	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB000992 Score: 0.858	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.858	8-hydroxylimonene-9-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002621 Score: 0.851	9-hydroxylimonene-8-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB000184 Score: 0.84	Phaseoloside D precursor	C₆₅H₁₀₄O₃₁ Mono mass: 1380.656156569
PHUB003062 Score: 0.838	9-Hydroxyperillic acid-8-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB002630 Score: 0.799	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002619 Score: 0.794	1-Hydroxylimonene-2-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.794	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB000994 Score: 0.787	Limonene-10-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB000189 Score: 0.784	Theasaponin precursor	C₅₉H₉₂O₂₇ Mono mass: 1232.582597702
PHUB002615 Score: 0.783	dihydroperillic acid-2-glucuronide metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB002611 Score: 0.78	8-hydroxyperillic acid-9-glucuronide metabolite	C₁₆H₂₄O₁₀ Mono mass: 376.136946973
PHUB000951 Score: 0.78	Glycyrrhetinic acid 3-O-sulfate-30-glucuronide metabolite	C₃₆H₅₄O₁₃S Mono mass: 726.328512973
PHUB002620 Score: 0.773	2-Hydroxylimonene-1-glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002092 Score: 0.773	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB002528 Score: 0.755	Matesaponin 2 164178-27-2 precursor	C₅₃H₈₆O₂₁ Mono mass: 1058.566159789
PHUB002529 Score: 0.755	Matesaponin 3 164178-28-3 precursor	C₅₃H₈₆O₂₂ Mono mass: 1074.561074409
PHUB002530 Score: 0.755	Matesaponin 4 164178-29-4 precursor	C₅₉H₉₆O₂₆ Mono mass: 1220.618983211
PHUB002061 Score: 0.748	Villanovane I precursor	C₂₆H₄₀O₉ Mono mass: 496.267232868
PHUB002631 Score: 0.745	Perillyl-beta-D-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB001002 Score: 0.745	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB001016 Score: 0.741	Menthol glucuronide 79466-08-3 metabolite	C₁₆H₂₈O₇ Mono mass: 332.183503242