Mol:FL5FCENSS002

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  33
M  SMT   2  OCH3
M  SVB   2 33   -2.7465   -0.0926
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31     2.032    0.6843
S  SKP  8
ID	FL5FCENSS002
KNApSAcK_ID	C00004976
NAME	Ombuin 3,3'-di-O-sulfate
CAS_RN	79174-99-5
FORMULA	C17H14O13S2
EXACTMASS	489.987581914
AVERAGEMASS	490.41726
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(c(OC)c2)OS(O)(=O)=O
M  END

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