Mol:FLIF1LNF0003

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FLIF1LNF0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 30  0  0  0  0  0  0  0  0999 V2000
   -2.2225    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2225    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    0.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6662    1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0027    0.1381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0027    0.7805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5536    1.1017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5588   -0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536   -1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484   -0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484   -0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1536    0.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536   -0.8252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1807    0.7805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590    1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7997    1.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4386    1.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6998    1.2103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7484   -0.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484   -0.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7362   -1.3847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4507   -1.7972    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  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  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    0.7362   -1.3847
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    1.9854    -1.076
S  SKP  8
ID	FLIF1LNF0003
KNApSAcK_ID	C00009569
NAME	Elliptone;Derride
CAS_RN	478-10-4
FORMULA	C20H16O6
EXACTMASS	352.094688244
AVERAGEMASS	352.33744
SMILES	c(O1)(c45)c(ccc(occ5)4)C(C(c23)C1COc2cc(OC)c(OC)c3)=O
M  END

</pre>

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