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Zizyberenalic acid
  Mrv2104 06072104202D          
  Mrv0541 01231312052D          
 33 37  0  0  1  0            999 V2000
    2.0232    0.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040   -0.9455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7457    0.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373   -0.5690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5273   -0.9674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8373    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2174   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9424   -0.9728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4032    0.2442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9488   -1.8027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1251   -0.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5145   -1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5273    0.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2174    0.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -0.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2300   -2.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9577    1.4616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7360   -2.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5649   -1.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0151   -1.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7958    0.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1378    1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7257   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9363   -0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2153   -1.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100   -0.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4943    2.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850   -2.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4969   -2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9674    0.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2526    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727    1.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 27  2  0  0  0  0
  3 31  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  1  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  5 21  1  6  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  6  0  0  0
 10 16  1  0  0  0  0
 10 22  1  0  0  0  0
 10 27  1  6  0  0  0
 11 17  1  6  0  0  0
 11 19  1  0  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 23  1  0  0  0  0
 18 28  1  1  0  0  0
 19 26  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  2  0  0  0  0
 24 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 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 — 9 of approximately 9 results

PHUB000196 Score: 1.0	Zizyberenalic acid precursor	C₃₀H₄₄O₃ Mono mass: 452.329045277
PHUB000170 Score: 0.761	Glycyrrhetinic acid precursor metabolite	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000156 Score: 0.736	Alphitolic acid precursor	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB001028 Score: 0.726	Myrtenic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000974 Score: 0.718	Dihydrocarvonic acid metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311
PHUB000164 Score: 0.709	Betulonic acid precursor	C₃₀H₄₆O₃ Mono mass: 454.344695341
PHUB000967 Score: 0.704	3-Carene-9-carboxylic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000190 Score: 0.701	Ursolic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000163 Score: 0.7	Betulinic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406