Mol:FL2FA9NM0012

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FL2FA9NM0012.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4791   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6045    0.1385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    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
    1.6592    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1935    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582    1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -2.1935   -0.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216   -1.1290    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
  2 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  2  0  0  0  0
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   -1.8363    0.7573
S  SKP  8
ID	FL2FA9NM0012
KNApSAcK_ID	C00008481
NAME	Leridal
CAS_RN	143084-65-5
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	O(C2c(c3)cccc3)c(c1C)c(C(=O)C2)c(c(c1OC)C=O)O
M  END

</pre>

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