Mol:FL6D3ANS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.0023    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -0.8123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2229   -0.4911    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2229    0.1513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3334    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3459    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3334   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4797    0.5811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4797    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790   -0.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315    1.9452    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  6  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
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    -1.168    1.0455
S  SKP  8
ID	FL6D3ANS0005
KNApSAcK_ID	C00009008
NAME	Epioritin-4alpha-ol 8-methyl ether
CAS_RN	38412-80-5
FORMULA	C16H16O6
EXACTMASS	304.094688244
AVERAGEMASS	304.29463999999996
SMILES	COc(c(O)3)c(O1)c(cc3)[C@@H](O)[C@@H](O)[C@H]1c(c2)ccc(O)c2
M  END

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