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Mrv2104 06072104232D

29 32  0  0  1  0            999 V2000
    9.3162   -5.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9921   -3.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5990   -3.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0508   -6.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0930   -7.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3567   -6.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9231   -4.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6834   -5.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8473   -9.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5537   -9.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5053   -7.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0334   -8.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6803   -8.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7993   -7.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3866   -8.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5057   -7.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4186   -9.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5558   -4.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3593   -4.3624    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2472   -6.3564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1250   -9.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6963   -9.5473    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5377   -8.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0075   -7.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440   -8.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8153   -8.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1090   -8.6947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2280   -7.4159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9900   -9.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
 19  3  1  1  0  0  0
 20  4  1  1  0  0  0
 27  5  1  1  0  0  0
 28  6  1  1  0  0  0
  7 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  2  0  0  0  0
 10 23  2  0  0  0  0
 24 11  1  0  0  0  0
 11 12  1  0  0  0  0
 25 12  1  0  0  0  0
 13 22  1  0  0  0  0
 13 15  1  0  0  0  0
 26 14  1  0  0  0  0
 14 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 24  1  0  0  0  0
 21 27  1  0  0  0  0
 22 29  1  1  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  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 — 10 of approximately 10 results

PHUB000476 Score: 1.0	Ergosterol precursor	C₂₈H₄₄O Mono mass: 396.339216037
PHUB000468 Score: 0.753	Avenasterol (delta5-) precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000470 Score: 0.753	Brassicasterol precursor	C₂₈H₄₆O Mono mass: 398.354866101
PHUB000472 Score: 0.753	Campesterol 474-62-4 precursor	C₂₈H₄₈O Mono mass: 400.370516166
PHUB000473 Score: 0.753	Clerosterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000475 Score: 0.753	Dihydrobrassicasterol precursor	C₂₈H₄₈O Mono mass: 400.370516166
PHUB000477 Score: 0.753	Fucosterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB000479 Score: 0.753	Sitosterol-beta 83-46-5 precursor	C₂₉H₅₀O Mono mass: 414.38616623
PHUB000481 Score: 0.753	Stigmasterol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001459 Score: 0.753	delta-5,24-Stigmastadienol precursor	C₂₉H₄₈O Mono mass: 412.370516166
PHUB001740 Score: 0.753	Sitosterol 83-46-5 precursor	C₂₉H₅₀O Mono mass: 414.38616623