Mol:FL4D1CNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9244   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8827   -0.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8827   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4035    0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9244   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618   -1.1075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591   -0.8068    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1591   -0.2053    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3618    0.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795    0.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3618   -2.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138   -0.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    0.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7482    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795    0.7121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2817    1.0201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    1.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5575   -1.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9903   -2.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817    0.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7818    1.2794    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
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   -2.2817    0.4134
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    0.5575   -1.6366
S  SKP  8
ID	FL4D1CNS0004
KNApSAcK_ID	C00008563
NAME	Fustin 3,7-dimethyl ether
CAS_RN	110559-11-0
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c3)cc(O1)c(c3)C(=O)C(OC)C1c(c2)cc(O)c(O)c2
M  END

</pre>