Mol:FLIA1LNF0001

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FLIA1LNF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 29  0  0  0  0  0  0  0  0999 V2000 
   -2.0196    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0196    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4633   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9070    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9070    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4633    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3507   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2056    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2056    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3507    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7617   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7617   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3565   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9512   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9512   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3565    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3507   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6306    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0081    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6306   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6044   -1.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0081   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6044    0.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0472   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7617   -1.1571    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  5  1  0  0  0  0 
  8 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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20  2  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 15  1  0  0  0  0 
 12 24  1  0  0  0  0 
 24 25  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  28 
M  SMT   1 ^OCH3 
M  SBV   1 28   -6.6487    3.3188 
S  SKP  8 
ID	FLIA1LNF0001 
KNApSAcK_ID	C00009436 
NAME	Dehydroneotenone 
CAS_RN	1242-81-5 
FORMULA	C19H12O6 
EXACTMASS	336.063388116 
AVERAGEMASS	336.29498 
SMILES	c(c45)c(c(OC)cc4OCO5)C(C3=O)=COc(c32)cc(c1c2)occ1 
M  END
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