Mol:FL2FECNS0004

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FL2FECNS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.5676    1.6507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768   -1.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0623   -1.7468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    1.2747    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
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  6  1  2  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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  7 17  2  0  0  0  0
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  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27   -2.2539    0.4086
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25   -1.7768   -1.3343
S  SKP  8
ID	FL2FECNS0004
KNApSAcK_ID	C00008311
NAME	Agestricin B
CAS_RN	85563-74-2
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c41)(OCO4)ccc(C(O2)CC(c(c3OC)c2cc(c3O)OC)=O)c1
M  END

</pre>

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