Mol:FLID1ANF0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 25  0  0  0  0  0  0  0  0999 V2000
   -1.7883    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7883    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6757    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2320    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4369    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1826   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3992   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
  1 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
S  SKP  8
ID	FLID1ANF0001
KNApSAcK_ID	C00009637
NAME	Neodunol
CAS_RN	53766-53-3
FORMULA	C17H12O4
EXACTMASS	280.073558872
AVERAGEMASS	280.27477999999996
SMILES	Oc(c5)cc(O1)c(c5)C(C4)C1c(c2)c(O4)cc(o3)c(cc3)2
M  END

</pre>