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Protopanaxatriol
  Mrv2104 03142315522D

34 37  0  0  1  0            999 V2000
    3.4927    1.1064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7682   -3.4882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2422   -2.6492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0281    0.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927   -1.3685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2070   -0.9560    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7782   -0.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0275   -1.3742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2070   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208   -2.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5058   -2.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -0.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    0.2814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9877   -1.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7649   -2.6631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2490   -2.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4691   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2627   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0229   -2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893   -1.7312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0338   -0.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738   -2.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2441    0.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4807   -1.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -3.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642   -3.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5003    1.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3076    1.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638    2.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3711    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274    3.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9221    2.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4599    1.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 14  1  1  1  0  0  0
 16  2  1  6  0  0  0
 23  3  1  1  0  0  0
 24  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  5 20  1  1  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  6  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 22  1  1  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 24  1  0  0  0  0
 15 18  1  0  0  0  0
 17 23  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 19 25  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 24 34  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 — 14 of approximately 14 results

PHUB000956 Score: 1.0	Protopanaxatriol 1453-93-6 precursor metabolite	C₃₀H₅₂O₄ Mono mass: 476.386560154
PHUB002101 Score: 1.0	Protopanaxadiol precursor metabolite	C₃₀H₅₂O₃ Mono mass: 460.391645534
PHUB000474 Score: 0.814	Cycloartenol 469-38-5 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000091 Score: 0.745	Terpineol-gamma precursor	C₁₀H₁₈O Mono mass: 154.1357652
PHUB000482 Score: 0.723	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000174 Score: 0.719	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000108 Score: 0.714	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB000166 Score: 0.714	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.714	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000469 Score: 0.708	Avenasterol (delta7-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000480 Score: 0.708	Spinasterol-alpha precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000012 Score: 0.707	Betulin precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000162 Score: 0.706	Barringtogenol C precursor	C₃₀H₅₀O₅ Mono mass: 490.36582471
PHUB002074 Score: 0.704	Akhdardiol precursor	C₂₀H₃₄O₂ Mono mass: 306.255880335