Mol:FL3FA9NM0003

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FL3FA9NM0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.4621    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4621   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3495    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7631   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7631    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2068   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8861    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3192    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0182   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8194    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3195    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531   -0.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386   -1.3861    0.0000 O   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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 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 12  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 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   -1.8194      0.77
S  SKP  8
ID	FL3FA9NM0003
KNApSAcK_ID	C00003994
NAME	Hoslundal
CAS_RN	135404-52-3
FORMULA	C18H14O5
EXACTMASS	310.084123558
AVERAGEMASS	310.30076
SMILES	O(C=2c(c3)cccc3)c(c(C(=O)C2)1)cc(c(c1O)CC=O)OC
M  END

</pre>

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