Mol:FL2FA9NM0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.0836    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8363    0.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3362    1.6234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  2 18  1  0  0  0  0
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  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  CH2OH
M  SVB   2 22   -2.1935   -0.3509
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   -1.8363    0.7573
S  SKP  8
ID	FL2FA9NM0013
KNApSAcK_ID	C00008482
NAME	Leridol
CAS_RN	143084-66-6
FORMULA	C18H18O5
EXACTMASS	314.115423686
AVERAGEMASS	314.33252
SMILES	O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)O
M  END

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