Mol:FL2FEGNS0002

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FL2FEGNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.8952   -0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3743   -1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8534   -0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8534   -0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3743    0.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8952   -0.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3325   -1.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1884   -0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1884   -0.1955    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.3325    0.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7088    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3325   -1.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2431   -0.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7775    0.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7775    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2431    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7088    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3743   -1.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4155    0.1050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2360    1.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9850    1.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3714    1.6340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6096   -0.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5975   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6435   -0.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5096   -0.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 
 16 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 16  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28    1.8952   -0.1013 
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  SVB   1 26   -2.6096   -0.6849 
S  SKP  8 
ID	FL2FEGNS0002 
KNApSAcK_ID	C00008490 
NAME	Agamanone 
CAS_RN	143381-59-3 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c1OC)(O)cc(O2)c(C(=O)CC2c(c4)cc(c(c(OC)4)3)OCO3)c1O 
M  END
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