Mol:FL5FA9NS0008

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FL5FA9NS0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -0.4000   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2794   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8463    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2794    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7123   -0.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783   -0.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5628    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2772    1.3299    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  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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    1.5628    1.7424
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    1.9105    -0.022
S  SKP  8
ID	FL5FA9NS0008
KNApSAcK_ID	C00004656
NAME	Morelosin
CAS_RN	62008-19-9
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c3)cc(cc(OC)3)C(O1)=C(O)C(=O)c(c(O)2)c(cc(O)c2)1
M  END

</pre>

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