Mol:FL2FA9NM0014

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FL2FA9NM0014.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.4791   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0836    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9582   -1.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8363    0.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3363    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1935   -0.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8217   -1.1479    0.0000 O   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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
  5 18  1  0  0  0  0
  2 19  1  0  0  0  0
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  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  CH2OH
M  SVB   3 25   -2.1935   -0.3699
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.8363    0.7382
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -1.4125   -0.9329
S  SKP  8
ID	FL2FA9NM0014
KNApSAcK_ID	C00008483
NAME	5-O-Methylleridol
CAS_RN	143084-67-7
FORMULA	C19H20O5
EXACTMASS	328.13107375
AVERAGEMASS	328.3591
SMILES	O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)CO)OC
M  END

</pre>

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