Mol:FLIA1LNP0004

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Copyright: ARM project http://www.metabolome.jp/
 30 34  0  0  0  0  0  0  0  0999 V2000
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    0.1779    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784    0.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2322   -0.4159    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
 18  1  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 13 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
 12 27  1  0  0  0  0
 27 28  1  0  0  0  0
 15 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  31
M  SMT   1 ^OCH3
M  SBV   1 31   -6.6764    3.0995
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  33
M  SMT   2 OCH3
M  SBV   2 33   -5.3678    3.3731
S  SKP  8
ID	FLIA1LNP0004
KNApSAcK_ID	C00009445
NAME	Ferrugone
CAS_RN	7731-08-0
FORMULA	C23H20O7
EXACTMASS	408.120902994
AVERAGEMASS	408.40070000000003
SMILES	O(C=3)c(c(C(C3c(c5OC)cc(OC)c(c54)OCO4)=O)2)c(C=1)c(cc2)OC(C1)(C)C
M  END

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