Mol:FL3FECNS0009

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FL3FECNS0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
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   -1.9394   -1.0952    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
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
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 21 22  1  0  0  0  0
  2 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   -2.5983   -0.6877
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    1.7479    1.7424
S  SKP  8
ID	FL3FECNS0009
KNApSAcK_ID	C00003890
NAME	Jaceosidin
CAS_RN	18085-97-7
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c(O)3)cc(cc3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1
M  END

</pre>

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