Mol:FLNA29NS0002

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FLNA29NS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 21 23  0  0  0  0  0  0  0  0999 V2000 
   -0.4814   -0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6477   -1.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2679   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7388   -0.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3821   -1.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5544   -1.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0835   -2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4403   -1.9424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9355   -0.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5557   -0.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8527   -0.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6874    0.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1389    0.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7556    0.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9209   -0.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4694   -0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2558   -2.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2087   -0.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1746   -0.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2975    0.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1193    0.2037    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  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 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 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  9 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -1.7782    0.6113 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -1.4212      1.78 
S  SKP  8 
ID	FLNA29NS0002 
KNApSAcK_ID	C00010193 
NAME	Methyldalbergin;6,7-Dimethoxy-4-phenylcoumarin 
CAS_RN	1857-05-2 
FORMULA	C17H14O4 
EXACTMASS	282.089208936 
AVERAGEMASS	282.29066 
SMILES	COc(c3)c(OC)cc(c23)C(=CC(=O)O2)c(c1)cccc1 
M  END
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