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Mrv2104 06072104352D

56 62  0  0  1  0            999 V2000
   19.5433  -16.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2665  -10.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8721  -10.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1144  -16.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5433  -17.8688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1144  -18.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6854  -17.8688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2577  -16.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6854  -15.3938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6854  -18.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9723  -18.6938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1144  -20.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4012  -17.8688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4012  -16.2188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6854  -21.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2564  -20.3438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6867  -14.9813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5419  -19.1063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5433  -13.5400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.3476  -13.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9417  -13.1027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.6948  -12.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8452  -14.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5433  -15.3938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2774  -12.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7055  -14.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8983  -14.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8570  -12.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2985  -11.6187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.8095  -13.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3476  -15.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8983  -14.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4349  -13.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1712  -11.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4285  -12.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6916  -11.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4791  -10.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1550  -15.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8288  -16.6313    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.8288  -17.4563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1144  -17.8688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3998  -16.6313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3998  -17.4563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.6854  -16.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2577  -17.4563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3998  -19.1063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.9723  -17.8688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.3998  -19.9313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6867  -17.4563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.9723  -16.2188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6867  -16.6313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.6854  -20.3438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9709  -19.1063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9709  -19.9313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9723  -15.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2564  -18.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24  1  1  6  0  0  0
 39  1  1  1  0  0  0
  2 37  1  0  0  0  0
  3 37  2  0  0  0  0
  4 39  1  0  0  0  0
  4 42  1  0  0  0  0
 40  5  1  6  0  0  0
 45  5  1  6  0  0  0
 41  6  1  1  0  0  0
 46  6  1  1  0  0  0
 43  7  1  6  0  0  0
  8 45  1  0  0  0  0
  8 50  1  0  0  0  0
  9 44  1  0  0  0  0
 10 46  1  0  0  0  0
 10 53  1  0  0  0  0
 47 11  1  1  0  0  0
 48 12  1  6  0  0  0
 49 13  1  6  0  0  0
 51 14  1  1  0  0  0
 52 15  1  1  0  0  0
 54 16  1  6  0  0  0
 17 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  6  0  0  0
 19 27  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  1  0  0  0  0
 21 33  1  6  0  0  0
 22 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 24  1  0  0  0  0
 24 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 28  1  0  0  0  0
 26 31  1  0  0  0  0
 27 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 36  1  1  0  0  0
 29 37  1  0  0  0  0
 30 35  1  0  0  0  0
 32 38  2  0  0  0  0
 34 35  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 43  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  1  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 52  1  0  0  0  0
 49 51  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  6  0  0  0
 52 54  1  0  0  0  0
 53 54  1  0  0  0  0
 53 56  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 — 27 of approximately 27 results

PHUB002064 Score: 1.0	Steviolbioside 41093-60-1 precursor	C₃₂H₅₀O₁₃ Mono mass: 642.32514167
PHUB002067 Score: 1.0	Rebaudioside B 58543-17-2 precursor	C₃₈H₆₀O₁₈ Mono mass: 804.377965092
PHUB002045 Score: 0.887	Stevioside precursor	C₃₈H₆₀O₁₈ Mono mass: 804.377965092
PHUB002065 Score: 0.887	Dulcoside A precursor	C₃₈H₆₀O₁₇ Mono mass: 788.383050472
PHUB002066 Score: 0.887	Rebaudioside A precursor	C₄₄H₇₀O₂₃ Mono mass: 966.430788514
PHUB002068 Score: 0.887	Rebaudioside C 63550-99-2 precursor	C₄₄H₇₀O₂₂ Mono mass: 950.435873894
PHUB002071 Score: 0.887	Rebaudioside F precursor	C₄₃H₆₈O₂₂ Mono mass: 936.42022383
PHUB002069 Score: 0.881	Rebaudioside D 63279-13-0 precursor	C₅₀H₈₀O₂₈ Mono mass: 1128.483611936
PHUB002070 Score: 0.881	Rebaudioside E 63279-14-1 precursor	C₄₄H₇₀O₂₃ Mono mass: 966.430788514
PHUB000004 Score: 0.861	Atractyligenin (2-O-beta-glucopyranosyl-) precursor	C₂₆H₄₀O₈ Mono mass: 480.272318248
PHUB000002 Score: 0.847	3'-O-beta-D-glucopyranosyl-2'-O-isovaleryl-2beta-(2-desoxy-atractyligenin)-beta-D-glucopyranoside precursor	C₃₆H₅₆O₁₅ Mono mass: 728.361921103
PHUB002092 Score: 0.75	Steviol glucuronide metabolite	C₂₆H₃₈O₉ Mono mass: 494.251582804
PHUB002528 Score: 0.731	Matesaponin 2 164178-27-2 precursor	C₅₃H₈₆O₂₁ Mono mass: 1058.566159789
PHUB002529 Score: 0.731	Matesaponin 3 164178-28-3 precursor	C₅₃H₈₆O₂₂ Mono mass: 1074.561074409
PHUB002530 Score: 0.731	Matesaponin 4 164178-29-4 precursor	C₅₉H₉₆O₂₆ Mono mass: 1220.618983211
PHUB000994 Score: 0.727	Limonene-10-ol-glucuronide metabolite	C₁₆H₂₄O₇ Mono mass: 328.152203113
PHUB002620 Score: 0.722	Limonene-1,2-diol glucuronide II metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002619 Score: 0.719	Limonene-1,2-diol glucuronide I metabolite	C₁₆H₂₆O₈ Mono mass: 346.162767797
PHUB002628 Score: 0.719	Dihydrocarveol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002061 Score: 0.713	Villanovane I precursor	C₂₆H₄₀O₉ Mono mass: 496.267232868
PHUB000161 Score: 0.71	Azukisaponin III precursor	C₄₂H₆₆O₁₅ Mono mass: 810.440171425
PHUB000182 Score: 0.71	Oleanolic acid 3-O-glucuronide precursor	C₃₆H₅₆O₉ Mono mass: 632.392433383
PHUB000185 Score: 0.71	Soyasapogenol B precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000186 Score: 0.71	Soyasaponin A1 precursor	C₅₉H₉₆O₂₉ Mono mass: 1268.603727071
PHUB000187 Score: 0.71	Soyasaponin I precursor	C₄₈H₇₈O₁₈ Mono mass: 942.518815672
PHUB002630 Score: 0.709	p-mentha-8-en-7-ol glucuronide metabolite	C₁₆H₂₆O₇ Mono mass: 330.167853177
PHUB002615 Score: 0.708	hydroxy-p-menth-8-en-7-oic acid glucuronide II metabolite	C₁₆H₂₄O₉ Mono mass: 360.142032353
PHUB000188 Score: 0.705	Spinasaponin A precursor	C₄₂H₆₆O₁₄ Mono mass: 794.445256805