Mol:FLIBALNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8752    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    0.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8743    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748    1.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266    0.2883    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1266    0.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3739    1.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9474   -0.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0908    0.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3748   -0.5781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4209   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2869   -1.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2393   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053   -1.5365    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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  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 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -0.0878   -0.4264
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    1.6609   -0.7426
S  SKP  8
ID	FLIBALNS0004
KNApSAcK_ID	C00002535
NAME	Homoferreirin
CAS_RN	482-01-9
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c(O)2)c(cc(O)c2)O1
M  END

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