Mol:FL5FALNS0004

<pre>

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
   -1.2076    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -1.7639   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
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

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