Mol:FLNAFCNS0002

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FLNAFCNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.2425    1.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    1.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    1.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1301    0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    0.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0234    1.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466    1.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2425    0.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    0.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -0.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1063   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -1.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9996   -0.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5997    1.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6862    2.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4466   -2.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5521   -1.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5997    1.9267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0997    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1630    0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4485   -0.2048    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 
  2 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 15 20  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  25 
M  SMT   2  OCH3 
M  SVB   2 25    -1.163    0.2077 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -1.5997    1.9267 
S  SKP  8 
ID	FLNAFCNS0002 
KNApSAcK_ID	C00010231 
NAME	8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin 
CAS_RN	123297-24-5 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c3)c(O)c(O2)c(c(OC)3)C(=CC(=O)2)c(c1)cc(O)c(O)c1 
M  END
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