Mol:FLIF1LNF0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
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   -1.8894   -0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3331   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.7768    0.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3331    0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2205   -0.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3358   -0.4722    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.3358    0.1702    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.2205    0.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8919   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8919   -1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4867   -1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0815   -1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0815   -0.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4867   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2205   -1.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5138    0.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8921    0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4666    1.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1055    1.1868    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.3667    0.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6056    2.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7396    2.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4715    1.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0693   -1.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7838   -2.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0815   -1.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0815   -1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1056    2.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1056    2.9187    0.0000 O   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 
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  7 17  2  0  0  0  0 
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 18 19  1  0  0  0  0 
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  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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 23 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  30  31 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34   -3.0329    2.1462 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  32 
M  SMT   2  OCH3 
M  SVB   2 32    2.3185   -1.6863 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  30 
M  SMT   1  OCH3 
M  SVB   1 30    1.0693    -1.995 
S  SKP  8 
ID	FLIF1LNF0009 
KNApSAcK_ID	C00009579 
NAME	Amorphigenol 
CAS_RN	29360-12-1 
FORMULA	C23H24O8 
EXACTMASS	428.14711774399996 
AVERAGEMASS	428.43186000000003 
SMILES	c(c51)c(c(OC)cc(OCC(C45)Oc(c2C(=O)4)c(C3)c(OC(C(C)(O)CO)3)cc2)1)OC 
M  END