Mol:FLNAA9NP0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.8657    0.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094    0.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234   -0.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002   -0.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234    0.9913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234   -1.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2705   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2705   -1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234   -2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -1.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3764   -1.3253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3094    1.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657    1.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    0.9794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    1.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -0.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -1.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4220    2.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9004    1.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -1.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9595    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7862   -0.4420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0717   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  2  0  0  0  0
 20  1  1  0  0  0  0
 19 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 21 20  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 22 29  2  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1 OCH3
M  SBV   1 33   -5.3998    4.2277
S  SKP  8
ID	FLNAA9NP0004
KNApSAcK_ID	C00010215
NAME	Apetalolide
CAS_RN	22562-09-0
FORMULA	C26H24O5
EXACTMASS	416.162373878
AVERAGEMASS	416.46576
SMILES	C(O4)(=O)C=C(c(c43)c(c(C(=O)C(C)=CC)c(c23)OC(C=C2)(C)C)OC)c(c1)cccc1
M  END

</pre>