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Mrv2104 06072104193D

33 37  0  0  0  0            999 V2000
    4.9725   -1.5097    2.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6218    0.8351    2.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3038    2.0916    1.4311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8865    0.7795   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5267   -1.7063   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8287    1.8793   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -0.4493   -2.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476   -1.5111    0.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6827   -1.7807    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1198    1.4287   -0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1983   -0.4304    2.6741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9505   -0.9291    2.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6233    1.5809   -0.9581 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5548   -0.3571   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1921    0.5245   -2.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8225    0.3786   -1.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6764    0.7148   -2.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085    0.1961    1.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3752   -0.5463   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8528   -0.5368   -0.0654 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5122    0.7542    0.3690 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3754   -0.4433    0.2960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2578   -0.2995    1.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498   -1.4797   -2.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8750   -0.2232    1.2655 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9669    0.8127    0.6390 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8516   -0.5824    0.5298 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5957    0.4656   -0.8732 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8912    0.2496   -0.9108 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4283   -0.2157   -1.3883 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.2354   -0.9884    1.5569 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7904   -1.8798   -2.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5827   -2.2949   -2.5544 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 26  1  0  0  0  0
 27  5  1  6  0  0  0
 28  6  1  1  0  0  0
 29  7  1  6  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
 22  9  1  6  0  0  0
 10 13  1  0  0  0  0
 21 10  1  6  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 27  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  1  0  0  0  0
 14 25  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 16 30  1  0  0  0  0
 17 30  1  0  0  0  0
 20 18  1  1  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 30  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 27  1  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 23 31  2  0  0  0  0
 30 24  1  6  0  0  0
 24 32  2  0  0  0  0
 24 33  1  0  0  0  0
 28 29  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 — 11 of approximately 11 results

PHUB000183 Score: 1.0	Oleanonic acid precursor	C₃₀H₄₆O₃ Mono mass: 454.344695341
PHUB000190 Score: 0.893	Ursolic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000181 Score: 0.88	Oleanolic acid precursor metabolite	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000191 Score: 0.87	Ursolic acid (2-alpha-hydroxy-) precursor	C₃₀H₄₈O₄ Mono mass: 472.355260026
PHUB000175 Score: 0.857	Maslinic acid precursor metabolite	C₃₀H₄₈O₄ Mono mass: 472.355260026
PHUB000156 Score: 0.788	Alphitolic acid precursor	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000178 Score: 0.779	Medicagenic acid precursor	C₃₀H₄₆O₆ Mono mass: 502.329439201
PHUB000170 Score: 0.774	Glycyrrhetinic acid precursor metabolite	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000967 Score: 0.737	3-Carene-9-carboxylic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000974 Score: 0.728	Dihydrocarvonic acid metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311
PHUB000969 Score: 0.709	3-caren-10-ol-9-carboxylic acid metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311