Mol:FL1CHYNP0001

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3942    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3942   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2816    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871   -0.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0652    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042    0.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9432    0.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -0.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -1.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3871   -1.1211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505    0.8043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5068    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5068   -0.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505   -0.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8760    1.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0652    0.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    0.8042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9890    0.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  9 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1 OCH3
M  SBV   1 27   -3.5771    2.7842
S  SKP  8
ID	FL1CHYNP0001
KNApSAcK_ID	C00007001
NAME	Demethylpraecanson B
CAS_RN	74517-66-1
FORMULA	C21H20O5
EXACTMASS	352.13107375
AVERAGEMASS	352.3805
SMILES	COc(c2C(C=C(O)c(c3)cccc3)=O)cc(c1c(O)2)OC(C=C1)(C)C
M  END

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