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Mrv2104 06072104362D

21 23  0  0  1  0            999 V2000
   17.0959  -17.3806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0625  -15.3858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.0625  -16.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7768  -14.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3250  -16.6519    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.3250  -14.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7768  -16.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5776  -16.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4912  -15.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5776  -15.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7636  -14.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0625  -14.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2486  -14.1085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2419  -14.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4912  -16.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5044  -13.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9208  -17.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7456  -17.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0735  -14.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6638  -13.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2541  -12.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  1  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  8  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  6  0  0  0
  6 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  1  0  0  0
 13 20  1  0  0  0  0
 20 21  2  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 33 results

PHUB002075 Score: 1.0	Akhdarenol precursor	C₂₀H₃₂O Mono mass: 288.24531565
PHUB002077 Score: 0.875	Amyrin-(beta) 559-70-6 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000166 Score: 0.845	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.845	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000482 Score: 0.82	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000993 Score: 0.818	Limonene-10-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000108 Score: 0.814	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000469 Score: 0.803	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.803	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000966 Score: 0.786	3-Carene-9-ol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000162 Score: 0.769	Barringtogenol C precursor	C₃₀H₅₀O₅ Mono mass: 490.36582471
PHUB001027 Score: 0.759	Myrtenol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003071 Score: 0.754	p-menthane-7,9-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB000075 Score: 0.741	Perillyl alcohol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001022 Score: 0.741	(-)-Perillyl alcohol metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000107 Score: 0.736	Cadinene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB000139 Score: 0.736	Muurolene-gamma precursor	C₁₅H₂₄ Mono mass: 204.187800773
PHUB001026 Score: 0.723	Verbenol (trans-) metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB001824 Score: 0.723	Verbenol (cis-) 13040-03-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000468 Score: 0.716	Avenasterol (delta5-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000470 Score: 0.716	Brassicasterol precursor	C₂₈H₄₆O Mono mass: 398.354866101
PHUB000472 Score: 0.716	Campesterol 474-62-4 precursor	C₂₈H₄₈O Mono mass: 400.370516166
PHUB000473 Score: 0.716	Clerosterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000475 Score: 0.716	Dihydrobrassicasterol precursor	C₂₈H₄₈O Mono mass: 400.370516166
PHUB000477 Score: 0.716	Fucosterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000479 Score: 0.716	Sitosterol-beta 83-46-5 precursor	C₂₉H₅₀O Mono mass: 414.38616623
PHUB000481 Score: 0.716	Stigmasterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001459 Score: 0.716	delta-5,24-Stigmastadienol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001740 Score: 0.716	Sitosterol 83-46-5 precursor	C₂₉H₅₀O Mono mass: 414.38616623
PHUB000110 Score: 0.714	Capsidiol precursor	C₁₅H₂₄O₂ Mono mass: 236.177630013
PHUB000090 Score: 0.712	Terpineol-alpha precursor	C₁₀H₁₈O Mono mass: 154.1357652