Mol:FLIBALNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0045    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0045    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3716    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5606   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623   -0.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7768   -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  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
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1 ^OCH3
M  SBV   1 23   -6.4480    4.3707
S  SKP  8
ID	FLIBALNS0005
KNApSAcK_ID	C00009554
NAME	Isoferreirin
CAS_RN	76656-75-2
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	COc(c3)c(ccc(O)3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M  END

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