Mol:FLNADBNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.2425    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    1.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    0.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    0.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    1.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2423    0.8052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    0.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -0.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4466   -1.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -1.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5997    1.7801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5997    2.0660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0996    2.9321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1259    0.3195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4114   -0.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0084   -1.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7229   -2.0660    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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 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 
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  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
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 10 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24    0.0084   -1.6535 
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   -1.1259    0.3195 
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   -1.5997     2.066 
S  SKP  8 
ID	FLNADBNS0001 
KNApSAcK_ID	C00010201 
NAME	5,7,4'-Trimethoxy-4-phenylcoumarin 
CAS_RN	74512-60-0 
FORMULA	C18H16O5 
EXACTMASS	312.099773622 
AVERAGEMASS	312.31664 
SMILES	c(C(c32)=CC(=O)Oc2cc(OC)cc3OC)(c1)ccc(OC)c1 
M  END