Mol:FLIAALNP0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
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   -1.8074   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4178   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4178    0.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1385    0.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9739   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9739   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5687   -1.3578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1635   -1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1635   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5687    0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1385   -0.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7577    0.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4721   -0.3970    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 20  2  1  0  0  0  0 
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 12 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 15 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  29 
M  SMT   1 ^OCH3 
M  SBV   1 29   -6.7665    4.7684 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  31 
M  SMT   2 OCH3 
M  SBV   2 31   -5.4578    5.0421 
S  SKP  8 
ID	FLIAALNP0005 
KNApSAcK_ID	C00009512 
NAME	Elongatin 
CAS_RN	58084-80-3 
FORMULA	C22H20O7 
EXACTMASS	396.120902994 
AVERAGEMASS	396.39 
SMILES	c(c3O)(c(cc(O4)c(C=CC4(C)C)3)1)C(=O)C(c(c2)c(cc(c2OC)O)OC)=CO1 
M  END