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Cycloartenol
  Mrv2104 03162314302D

33 37  0  0  0  0            999 V2000
   -1.4879    0.0609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1972   -0.3602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7682   -0.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411    0.3809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1972   -1.1852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9135    0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0452    0.0679    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7823   -1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752    1.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9135   -1.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4809   -1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6155   -0.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0417    0.9033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0452   -0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6155   -1.1852    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3213   -1.5855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545   -1.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0536    1.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7538    1.1581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2421    0.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7482   -0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3740   -2.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782   -2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7508    1.9817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0354    2.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4632    2.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799    1.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8923    2.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6086    1.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3213    2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5829    1.4352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  6  0  0  0
 11 16  1  0  0  0  0
 16 17  1  1  0  0  0
  2  4  1  1  0  0  0
  9 12  1  0  0  0  0
 10 14  1  0  0  0  0
 13 16  1  0  0  0  0
  6 18  1  6  0  0  0
 14 19  1  1  0  0  0
 20 14  1  0  0  0  0
  8 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22  8  1  0  0  0  0
 22 21  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 20 33  1  6  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 — 5 of approximately 5 results

PHUB000474 Score: 1.0	Cycloartenol 469-38-5 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000956 Score: 0.814	Protopanaxatriol 1453-93-6 precursor metabolite	C₃₀H₅₂O₄ Mono mass: 476.386560154
PHUB002101 Score: 0.814	Protopanaxadiol precursor metabolite	C₃₀H₅₂O₃ Mono mass: 460.391645534
PHUB000482 Score: 0.712	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000174 Score: 0.707	lupeol precursor	C₃₀H₅₀O Mono mass: 426.38616623