Mol:FL5FDKNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.3202   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6513   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0950   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.6513   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.1618   -0.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4610    1.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3270    1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7710   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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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 
  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 
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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