Mol:FL1CG9NI0002

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Copyright: ARM project http://www.metabolome.jp/
 29 30  0  0  0  0  0  0  0  0999 V2000
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    2.7830   -0.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2267   -0.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5371   -0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -1.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5799   -0.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6871   -0.4014    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
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2  8  1  0  0  0  0
 10 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
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 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 21 23  1  0  0  0  0
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 26 27  1  0  0  0  0
 12 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  27
M  SMT   1 ^OCH3
M  SBV   1 27   -6.6300    3.1804
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  29
M  SMT   2 OCH3
M  SBV   2 29   -5.3630    3.4059
S  SKP  8
ID	FL1CG9NI0002
KNApSAcK_ID	C00007118
NAME	Melafolone
CAS_RN	129724-42-1
FORMULA	C22H24O7
EXACTMASS	400.152203122
AVERAGEMASS	400.42176000000006
SMILES	C(C(=O)c(c2OC)c(c(c(c2OC(C(C)CC)=O)O)OC)O)=Cc(c1)cccc1
M  END

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