Mol:FL3FACGS0085

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FL3FACGS0085.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  60  61  62
M  SBL   1  1  68
M  SMT   1 ^ COOH
M  SBV   1  68    0.8473    0.0000
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  63  64  65
M  SBL   2  1  71
M  SMT   2  COOH
M  SBV   2  71   -0.6008    0.8066
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  66  67  68
M  SBL   3  1  74
M  SMT   3 ^ COOH
M  SBV   3  74    0.3627   -0.6282
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  69  70
M  SBL   4  1  76
M  SMT   4  OCH3
M  SBV   4  76   -0.3280    0.5682
S  SKP  5
ID	FL3FACGS0085
FORMULA	C43H42O27
EXACTMASS	990.191346138
AVERAGEMASS	990.77738
SMILES	c(c7)(c(O)cc(c7)C(=C6)Oc(c(C6=O)2)cc(OC(C3OC(O5)C(C(C(O)C5C(O)=O)O)OC(C=Cc(c4)cc(OC)c(c4)O)=O)OC(C(C3O)O)C(O)=O)cc2O)OC(O1)C(C(C(O)C1C(O)=O)O)O
M  END

</pre>

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