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Lupeol
  Mrv2104 06072104192D

31 35  0  0  1  0            999 V2000
    9.7387  -13.9585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0098  -14.3789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5800  -14.3789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7387  -13.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3089  -13.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5800  -15.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4395  -12.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511  -15.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6358  -11.9121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1684  -13.1455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0098  -15.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4395  -14.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098  -12.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511  -13.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3089  -13.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3089  -15.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0751  -11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4487  -11.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503  -15.1920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1684  -13.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7851  -12.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503  -14.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3554  -10.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387  -14.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098  -13.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5800  -13.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4215  -15.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2621  -11.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2538  -16.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4364  -16.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1669  -12.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
 12  1  1  0  0  0  0
  1 24  1  6  0  0  0
  5  2  1  0  0  0  0
 11  2  1  0  0  0  0
  2 25  1  1  0  0  0
  5  3  1  0  0  0  0
 14  3  1  0  0  0  0
  3 26  1  1  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
 13  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 19  8  1  0  0  0  0
  9 17  1  6  0  0  0
 18  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 10  1  0  0  0  0
 16 11  1  0  0  0  0
 20 12  1  0  0  0  0
 15 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 17  2  0  0  0  0
 28 17  1  0  0  0  0
 21 18  1  0  0  0  0
 19 27  1  1  0  0  0
 22 19  1  0  0  0  0
 29  8  1  0  0  0  0
 30  8  1  0  0  0  0
 10 31  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 — 21 of approximately 21 results

PHUB000174 Score: 1.0	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000012 Score: 0.978	Betulin precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000959 Score: 0.816	6-exo-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002074 Score: 0.787	Akhdardiol precursor	C₂₀H₃₄O₂ Mono mass: 306.255880335
PHUB000960 Score: 0.784	7-Hydroxycamphene metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB002076 Score: 0.755	Akhdartriol precursor	C₂₀H₃₄O₃ Mono mass: 322.250794955
PHUB002706 Score: 0.755	Pinocarveol 5947-36-4 precursor	C₁₀H₁₆O Mono mass: 152.120115135
PHUB003069 Score: 0.755	E-Pinocarveol 5947-36-4 metabolite	C₁₀H₁₆O Mono mass: 152.120115135
PHUB000163 Score: 0.75	Betulinic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000165 Score: 0.738	Colubrinic acid precursor	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000471 Score: 0.733	Campestanol precursor	C₂₈H₅₀O Mono mass: 402.38616623
PHUB000478 Score: 0.733	Sitostanol-beta precursor	C₂₉H₅₂O Mono mass: 416.401816294
PHUB000482 Score: 0.733	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000972 Score: 0.729	Dihydrocarveol metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB001811 Score: 0.729	Isopulegol 89-79-2 metabolite	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000956 Score: 0.719	Protopanaxatriol 1453-93-6 precursor metabolite	C₃₀H₅₂O₄ Mono mass: 476.386560154
PHUB002101 Score: 0.719	Protopanaxadiol precursor metabolite	C₃₀H₅₂O₃ Mono mass: 460.391645534
PHUB000469 Score: 0.717	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.717	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000474 Score: 0.707	Cycloartenol 469-38-5 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000990 Score: 0.706	Limonene-1,2-diol metabolite	C₁₀H₁₈O₂ Mono mass: 170.13067982
PHUB001847 Score: 0.706	Limonene-1,2-glycol	C₁₀H₁₈O₂ Mono mass: 170.13067982