Mol:FL5FALNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.3202    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.7639    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4611    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5950    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0281    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4611    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8763    0.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.1038    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3962    2.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7710   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6370   -1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1618    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8763    0.8961    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 
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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 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26    2.1618    1.3086 
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    0.1038    -0.843 
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    0.1038    1.6001 
S  SKP  8 
ID	FL5FALNS0004 
KNApSAcK_ID	C00004626 
NAME	Morin 3,2',4'-trimethyl ether 
CAS_RN	135566-98-2 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(c21)(O)cc(O)cc(OC(c(c(OC)3)ccc(OC)c3)=C(C2=O)OC)1 
M  END