Mol:FLNAFCNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.1431    1.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5868    1.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0307    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0307    0.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1228    0.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1228    1.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461    1.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1431    0.9811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5868    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461   -0.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0069   -0.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0069   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461   -1.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0990   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0990   -0.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6992    1.9559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6992    1.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5461   -1.9562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6515   -1.3179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0636    0.5228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3491    0.1103    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 
 14 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 10 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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  SBV   1 23   -5.6771    5.1925 
S  SKP  8 
ID	FLNAFCNS0005 
KNApSAcK_ID	C00010234 
NAME	7',3',4'-Trihydroxy-5-methoxy-4-phenylcoumarin 
CAS_RN	121880-19-1 
FORMULA	C16H12O6 
EXACTMASS	300.063388116 
AVERAGEMASS	300.26288 
SMILES	COc(c3)c(c(cc(O)3)2)C(=CC(=O)O2)c(c1)cc(O)c(O)c1 
M  END