Mol:FL5FACGL0035

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FL5FACGL0035.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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 35 55  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  50  51  52
M  SBL   1  1  57
M  SMT   1 ^ COOH
M  SBV   1  57    0.6905   -0.6905
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  53  54
M  SBL   2  1  59
M  SMT   2 ^ CH2OH
M  SBV   2  59    0.0183    0.6740
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  55  56
M  SBL   3  1  61
M  SMT   3  CH2OH
M  SBV   3  61   -0.6458   -0.2653
S  SKP  5
ID	FL5FACGL0035
FORMULA	C33H38O23
EXACTMASS	802.180387522
AVERAGEMASS	802.64102
SMILES	c(c6O)cc(cc6O)C(O1)=C(OC(O5)C(C(C(O)C5CO)O)OC(C4O)OC(CO)C(C4O)O)C(=O)c(c(O)2)c1cc(OC(C3O)OC(C(O)=O)C(O)C(O)3)c2
M  END

</pre>

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