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Mrv2104 06072104182D

37 41  0  0  1  0            999 V2000
   11.7513   -0.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6537    0.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4369   -2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658   -2.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3773   -0.2412    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6608    0.1677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9122   -0.2542    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9099   -1.1135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3571    0.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3949   -1.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    1.5328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1437    0.0640    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5338    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6562   -1.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1453    0.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0919    1.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1404   -1.5708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3830    0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6322    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3655   -0.2321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3630   -1.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1477   -2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1981    0.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365   -0.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2248    0.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5077   -0.2133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2140   -1.4554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5022   -1.0382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0876    0.4948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157   -1.7735    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1063    2.1644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9311   -1.0477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6428   -1.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7850   -1.4460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7960    0.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788   -0.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086   -2.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  6  0  0  0
 20  2  1  1  0  0  0
  3 22  1  0  0  0  0
  4 22  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 29  1  1  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  6  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  8 30  1  1  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 11 18  1  0  0  0  0
 11 31  1  6  0  0  0
 12 18  1  0  0  0  0
 13 16  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  6  0  0  0
 18 23  2  0  0  0  0
 20 21  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
 24 32  1  0  0  0  0
 32 27  1  0  0  0  0
 32 33  1  6  0  0  0
 28 34  1  6  0  0  0
 26 35  1  1  0  0  0
 35 36  1  0  0  0  0
  2 24  1  1  0  0  0
 27 37  1  1  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 — 29 of approximately 29 results

PHUB000004 Score: 1.0	Atractyligenin (2-O-beta-glucopyranosyl-) precursor	C₂₆H₄₀O₈ Mono mass: 480.272318248
PHUB000002 Score: 0.879	3'-O-beta-D-glucopyranosyl-2'-O-isovaleryl-2beta-(2-desoxy-atractyligenin)-beta-D-glucopyranoside precursor	C₃₆H₅₆O₁₅ Mono mass: 728.361921103
PHUB002064 Score: 0.861	Steviolbioside 41093-60-1 precursor	C₃₂H₅₀O₁₃ Mono mass: 642.32514167
PHUB002067 Score: 0.861	Rebaudioside B 58543-17-2 precursor	C₃₈H₆₀O₁₈ Mono mass: 804.377965092
PHUB002092 Score: 0.8	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB002045 Score: 0.779	Stevioside precursor	C₃₈H₆₀O₁₈ Mono mass: 804.377965092
PHUB002065 Score: 0.779	Dulcoside A precursor	C₃₈H₆₀O₁₇ Mono mass: 788.383050472
PHUB002066 Score: 0.779	Rebaudioside A precursor	C₄₄H₇₀O₂₃ Mono mass: 966.430788514
PHUB002068 Score: 0.779	Rebaudioside C 63550-99-2 precursor	C₄₄H₇₀O₂₂ Mono mass: 950.435873894
PHUB002071 Score: 0.779	Rebaudioside F precursor	C₄₃H₆₈O₂₂ Mono mass: 936.42022383
PHUB002069 Score: 0.774	Rebaudioside D 63279-13-0 precursor	C₅₀H₈₀O₂₈ Mono mass: 1128.483611936
PHUB002070 Score: 0.774	Rebaudioside E 63279-14-1 precursor	C₄₄H₇₀O₂₃ Mono mass: 966.430788514
PHUB002620 Score: 0.76	Limonene-1,2-diol glucuronide II metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002630 Score: 0.76	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002619 Score: 0.756	Limonene-1,2-diol glucuronide I metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.756	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002058 Score: 0.748	20-nor-cofaryloside II precursor	C₂₃H₃₆O₅ Mono mass: 392.256274259
PHUB002615 Score: 0.744	hydroxy-p-menth-8-en-7-oic acid glucuronide II metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB000188 Score: 0.727	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805
PHUB000161 Score: 0.719	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000182 Score: 0.719	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB000948 Score: 0.71	Glycyrrhetinic acid 3-O-glucuronide metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB002061 Score: 0.71	Villanovane I precursor	C₂₆H₄₀O₉ Mono mass: 496.267232868
PHUB002093 Score: 0.71	3 β-monoglucuronyl-18-β-glycyrrhetinic acid 34096-83-8 metabolite	C₃₆H₅₄O₁₀ Mono mass: 646.371697939
PHUB000185 Score: 0.707	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.707	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.707	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB000992 Score: 0.706	Limonene-8,9-diol glucuronide metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002622 Score: 0.706	Limonene-8,9-diol glucuronide II metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB001002 Score: 0.704	Dihydroperillic acid glucuronide (trans-) metabolite	C₁₆H₂₄O₈ Mono mass: 344.147117733
PHUB000171 Score: 0.701	Glycyrrhizin precursor metabolite	C₄₂H₆₂O₁₆ Mono mass: 822.403785916