Mol:FL5FCJNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.4197   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624   -0.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768    1.3089    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -2.7769    0.4428
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    2.0624     1.127
S  SKP  8
ID	FL5FCJNS0001
KNApSAcK_ID	C00004766
NAME	Myricetin 7,4'-dimethyl ether
CAS_RN	86828-05-9
FORMULA	C17H14O8
EXACTMASS	346.068867424
AVERAGEMASS	346.28826
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(OC)c(O)2
M  END

</pre>