Mol:FL5FF9NS0014

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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  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
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  1 23  1  0  0  0  0
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  8 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  27
M  SMT   2  OCH3
M  SVB   2 27    0.6951    -0.999
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -2.0862    0.4683
S  SKP  8
ID	FL5FF9NS0014
KNApSAcK_ID	C00004919
NAME	Isognaphalin 8-acetate
CAS_RN	98204-86-5
FORMULA	C19H16O7
EXACTMASS	356.089602866
AVERAGEMASS	356.32614
SMILES	c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)OC)(c1)cccc1
M  END

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