Mol:FLNADCNS0002

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FLNADCNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -1.2425    1.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    1.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    0.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    0.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    1.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    1.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2423    0.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    0.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -0.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -1.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -1.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -1.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5997    1.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5794   -2.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2144   -2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4740   -1.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5997    2.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0997    2.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1184    0.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4039   -0.0317    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 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 10 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -1.1184    0.3808 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -1.5997    2.1256 
S  SKP  8 
ID	FLNADCNS0002 
KNApSAcK_ID	C00010206 
NAME	5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin 
CAS_RN	94345-23-0 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c41)(OCO4)ccc(C(c32)=CC(=O)Oc2cc(OC)cc3OC)c1 
M  END
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