Mol:FL1B1CNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2767    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2767    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959    1.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    0.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3152    0.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -0.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3541    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065    0.9636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8344    1.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5905   -0.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1111    0.9438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370   -0.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7282   -0.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370    0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    0.4343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7278   -1.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -0.0756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -0.4881    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  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 17 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   -9.6259    5.8451
S  SKP  8
ID	FL1B1CNS0002
KNApSAcK_ID	C00008069
NAME	2,6,3'-Trihydroxy-4'-methoxy-2-benzylcoumaranone
CAS_RN	93012-79-4
FORMULA	C16H14O6
EXACTMASS	302.07903818
AVERAGEMASS	302.27876000000003
SMILES	COc(c3)c(O)cc(c3)CC(O)(O1)C(=O)c(c2)c(cc(O)c2)1
M  END

</pre>