Mol:FLNAFCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
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   -0.6862    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4466   -0.3893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.0084   -1.8258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7229   -2.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.4485   -0.2378    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 
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  8  3  1  0  0  0  0 
  1  9  1  0  0  0  0 
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 22 23  1  0  0  0  0 
 10 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    -1.163    0.1747 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -1.5997    1.8937 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    0.0084   -1.8258 
S  SKP  8 
ID	FLNAFCNS0001 
KNApSAcK_ID	C00010230 
NAME	8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin 
CAS_RN	126588-34-9 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c1O)(OC)cc(c(C(c(c3)cc(O)c(OC)c3)=2)c1OC(=O)C2)OC 
M  END