Mol:FLIB1LNF0001

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FLIB1LNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.9669    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.3315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2583    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8144   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    1.1724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9554    0.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8701   -1.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8703   -2.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -1.6763    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
  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
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    2.2409   -0.8826
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    0.0999   -0.6069
S  SKP  8
ID	FLIB1LNF0001
KNApSAcK_ID	C00009547
NAME	Neoraunone
CAS_RN	76165-16-7
FORMULA	C19H16O5
EXACTMASS	324.099773622
AVERAGEMASS	324.32734
SMILES	c(c(C(C4=O)COc(c43)cc(c2c3)occ2)1)(OC)cc(OC)cc1
M  END

</pre>

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