Mol:FL2FDANS0001

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FL2FDANS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0735    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609    0.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    0.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4046   -0.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1517    0.1104    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4046    0.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2747    0.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    0.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    1.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2747    1.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    1.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4046   -1.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    1.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309    1.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9537   -1.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2392   -1.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  9 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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.9537   -1.0137
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.4308    0.7291
S  SKP  8
ID	FL2FDANS0001
KNApSAcK_ID	C00008227
NAME	Naringenin 5,7-dimethyl ether
CAS_RN	72704-06-4
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c1)cc(O2)c(C(=O)CC2c(c3)ccc(O)c3)c(OC)1
M  END

</pre>

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