Mol:FL1C1AGS0001

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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  41  42
M  SBL   2  1  44
M  SMT   2  CH2OH
M  SVB   2 44   -4.6104    1.5093
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  37  38
M  SBL   1  1  38
M  SMT   1  CH2OH
M  SVB   1 38    5.0638     -0.56
S  SKP  8
ID	FL1C1AGS0001
KNApSAcK_ID	C00002382
NAME	Isobutrin
CAS_RN	536-01-6
FORMULA	C27H32O15
EXACTMASS	596.174120354
AVERAGEMASS	596.5339799999999
SMILES	c(O)(c3O[C@H](O4)C(C([C@@H](O)[C@@H](CO)4)O)O)ccc(c3)C=CC(=O)c(c(O)1)ccc(O[C@@H]([C@H]2O)OC([C@H](O)[C@@H]2O)CO)c1
M  END

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