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Mrv2104 06072104202D

36 40  0  0  0  0            999 V2000
 9983.4773 9983.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9984.1883 9982.5026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.3276 9983.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.0406 9984.1569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9986.3276 9982.9197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9984.9014 9983.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9982.0543 9983.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9979.9178 9981.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9982.7660 9982.5026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9982.0524 9982.9085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9982.7669 9981.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9983.4814 9982.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9981.3428 9983.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9980.6283 9982.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9983.4780 9984.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9982.7636 9984.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9982.7636 9983.3276    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9983.4780 9982.9152    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9984.1876 9984.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9984.1876 9983.3285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9984.9021 9982.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6166 9983.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6139 9985.8100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9984.8994 9985.3975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9984.8994 9984.5725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9985.6139 9984.1601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9986.3284 9984.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.3284 9985.3975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9982.0531 9981.3719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9980.6284 9982.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9982.0540 9982.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9980.8258 9981.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9981.8663 9981.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9981.3410 9981.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9984.1861 9985.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9985.6139 9986.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 13 10  1  0  0  0  0
 10  7  1  1  0  0  0
 17 10  1  0  0  0  0
 17  9  1  6  0  0  0
 12 18  1  0  0  0  0
 18  1  1  1  0  0  0
 18 20  1  0  0  0  0
 20  2  1  6  0  0  0
 15 19  2  0  0  0  0
 25 19  1  0  0  0  0
 25  6  1  1  0  0  0
 22 26  1  0  0  0  0
 26  3  1  1  0  0  0
 31 29  1  6  0  0  0
 34 32  1  0  0  0  0
 34 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 31  1  0  0  0  0
 10 31  1  0  0  0  0
 31 11  1  0  0  0  0
 14 30  1  0  0  0  0
 30  8  1  1  0  0  0
 24 35  1  1  0  0  0
 23 36  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 — 17 of approximately 17 results

PHUB000190 Score: 1.0	Ursolic acid precursor	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000181 Score: 0.986	Oleanolic acid precursor metabolite	C₃₀H₄₈O₃ Mono mass: 456.360345406
PHUB000191 Score: 0.973	Ursolic acid (2-alpha-hydroxy-) precursor	C₃₀H₄₈O₄ Mono mass: 472.355260026
PHUB000175 Score: 0.959	Maslinic acid precursor metabolite	C₃₀H₄₈O₄ Mono mass: 472.355260026
PHUB000183 Score: 0.893	Oleanonic acid precursor	C₃₀H₄₆O₃ Mono mass: 454.344695341
PHUB000156 Score: 0.878	Alphitolic acid precursor	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000178 Score: 0.867	Medicagenic acid precursor	C₃₀H₄₆O₆ Mono mass: 502.329439201
PHUB000170 Score: 0.798	Glycyrrhetinic acid precursor metabolite	C₃₀H₄₆O₄ Mono mass: 470.339609961
PHUB000166 Score: 0.764	Erythrodiol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000194 Score: 0.764	Uvaol precursor	C₃₀H₅₀O₂ Mono mass: 442.38108085
PHUB000967 Score: 0.74	3-Carene-9-carboxylic acid metabolite	C₁₀H₁₄O₂ Mono mass: 166.099379691
PHUB000108 Score: 0.74	Cadinol precursor	C₁₅H₂₆O Mono mass: 222.198365457
PHUB002077 Score: 0.736	Amyrin-(beta) 559-70-6 precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000969 Score: 0.713	3-caren-10-ol-9-carboxylic acid metabolite	C₁₀H₁₄O₃ Mono mass: 182.094294311
PHUB000162 Score: 0.709	Barringtogenol C precursor	C₃₀H₅₀O₅ Mono mass: 490.36582471
PHUB000482 Score: 0.701	Citrostadienol precursor	C₃₀H₅₀O Mono mass: 426.38616623
PHUB000196 Score: 0.701	Zizyberenalic acid precursor	C₃₀H₄₄O₃ Mono mass: 452.329045277