Mol:FL2FABGS0004

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FL2FABGS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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  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
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  7 17  2  0  0  0  0
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
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 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34   -3.4363    0.9823
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    3.3826    1.4608
S  SKP  8
ID	FL2FABGS0004
KNApSAcK_ID	C00008222
NAME	Isosakuranin
CAS_RN	494-69-0
FORMULA	C22H24O10
EXACTMASS	448.136946988
AVERAGEMASS	448.41996000000006
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c4O)3)OC(CC3=O)c(c2)ccc(OC)c2)CO)O)O
M  END

</pre>

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