Mol:FLIAALNP0005

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Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
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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
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    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
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 20  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 14 25  1  0  0  0  0
 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

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