Mol:FL5FDKNS0001

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FL5FDKNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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    1.3115    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7529    2.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  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
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27    1.3115    1.7424
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    0.1038   -0.9854
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  SVB   1 23    2.1618    1.1662
S  SKP  8
ID	FL5FDKNS0001
KNApSAcK_ID	C00004772
NAME	Myricetin 3,3',4'-trimethyl ether
CAS_RN	80368-72-5
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c(OC)1)(OC)cc(C(O2)=C(C(c(c(O)3)c2cc(O)c3)=O)OC)cc1O
M  END

</pre>

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