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Betulonic acid
  Mrv2104 06072104192D          
 
 39 43  0  0  1  0            999 V2000
   10.3703    5.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6895    4.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2589    2.9438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5561    4.5791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8661    4.1807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1760    4.5791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5561    5.3759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4509    4.1752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2683    5.8018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9903    5.3924    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4445    3.3453    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2683    4.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8788    3.3508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    5.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8661    5.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9903    4.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1633    2.9303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4357    6.6097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8286    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3781    3.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5977    5.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992    2.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2557    6.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4570    4.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6833    4.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9506    3.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8991    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3034    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1002    2.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1407    7.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1207    7.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7626    4.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5508    6.0530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164    6.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    2.6680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9593    6.4792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8000    5.1594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  1 39  1  0  0  0  0
  2 27  2  0  0  0  0
  3 28  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  6  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  1  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 34  1  6  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 35  1  1  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  1  1  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
  9 36  1  6  0  0  0
 10 16  1  0  0  0  0
 10 21  1  0  0  0  0
 10 27  1  4  0  0  0
 11 17  1  0  0  0  0
 11 23  1  0  0  0  0
 11 37  1  6  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 18 24  1  0  0  0  0
 18 29  1  6  0  0  0
 18 38  1  0  0  0  0
 21 24  1  0  0  0  0
 22 26  1  0  0  0  0
 23 28  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
 26 28  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  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 — 8 of approximately 8 results

PHUB000164 Score: 1.0	Betulonic acid precursor	C₃₀H₄₆O₃ Mono mass: 454.344695341
PHUB000163 Score: 0.889	Betulinic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000165 Score: 0.875	Colubrinic acid precursor	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB002044 Score: 0.754	Steviol 471-80-7 precursor metabolite	C₂₀H₃₀O₃ Mono mass: 318.219494826
PHUB001000 Score: 0.712	Dihydroperillic acid (trans-) metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB001001 Score: 0.712	Dihydroperillic acid (cis-) metabolite	C₁₀H₁₆O₂ Mono mass: 168.115029755
PHUB000196 Score: 0.709	Zizyberenalic acid precursor	C₃₀H₄₄O₃ Mono mass: 452.329045277
PHUB000003 Score: 0.703	Atractyligenin 10391-47-6 precursor	C₁₉H₂₈O₄ Mono mass: 320.198759382