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Mrv2104 01142314462D

15 15  0  0  0  0            999 V2000
    5.9638   -3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7923   -2.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7483   -3.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3506   -3.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -3.6303    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8987   -4.1152    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2312   -3.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3111   -2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4467   -3.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987   -4.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -5.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8987   -6.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6132   -6.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  9  5  1  0  0  0  0
  7  6  1  0  0  0  0
  6 11  1  1  0  0  0
  8  7  1  0  0  0  0
 10  7  2  0  0  0  0
  9  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  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 — 1 of approximately 1 results

PHUB003043 Score: 1.0		Jasmonic acid precursor	C₁₂H₁₈O₃ Mono mass: 210.12559444