Mol:FL1CHYNP0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.3387    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824   -0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2261    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824    0.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -0.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597   -0.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5597    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9987    0.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3302   -0.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4426   -1.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950    0.8856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514    0.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4514   -0.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8950   -0.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9268    1.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1207    0.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -0.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5044   -0.9722    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
  9 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
  3 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1 OCH3
M  SBV   1 26   -4.4085    4.1648
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  28
M  SMT   2 OCH3
M  SBV   2 28   -5.4010    3.6832
S  SKP  8
ID	FL1CHYNP0006
KNApSAcK_ID	C00007012
NAME	Praecansone B
CAS_RN	74517-75-2
FORMULA	C22H22O5
EXACTMASS	366.146723814
AVERAGEMASS	366.40708000000006
SMILES	c(c31)(C=CC(O3)(C)C)c(OC)c(C(C=C(c(c2)cccc2)O)=O)c(OC)c1
M  END

</pre>