Mol:FL6D3CNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0023   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -1.1395    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2229   -0.8183    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2229   -0.1760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3334    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4797    0.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790   -1.1394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    1.6179    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  6  0  0  0
 18  1  1  0  0  0  0
 14 19  1  0  0  0  0
  8 20  1  1  0  0  0
 15 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
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    -1.168    0.7182
S  SKP  8
ID	FL6D3CNS0004
KNApSAcK_ID	C00009012
NAME	Mesquitol-4alpha-ol 8-methyl ether
CAS_RN	29810-21-7
FORMULA	C16H16O7
EXACTMASS	320.089602866
AVERAGEMASS	320.29404
SMILES	COc(c(O)3)c(O1)c(cc3)[C@@H](O)[C@H](O)[C@H]1c(c2)cc(O)c(O)c2
M  END

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