Mol:FL4DPTNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.8429   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3220   -1.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8011   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8011   -0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.2407   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2407   -0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2802    0.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7610    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2802   -1.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2954   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8298    0.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8298    0.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2954    1.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7610    0.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7708   -1.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2864   -0.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3632    0.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3632    1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2954    1.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  6  1  1  0  0  0  0 
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  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  7 12  2  0  0  0  0 
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 19 18  1  0  0  0  0 
  6 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1 OCH3 
M  SBV   1 26   -8.5069    4.2168 
S  SKP  8 
ID	FL4DPTNS0004 
KNApSAcK_ID	C00008604 
NAME	5-Methoxypeltogynone 
CAS_RN	38279-47-9 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c4)c(C(=O)1)c(cc(O)4)OC(c32)C(OCc(cc(O)c(O)c3)2)1 
M  END