Mol:FL3FCADS0004

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  46
M  SMT   3  CH2OH
M  SVB   3 46   -2.5923   -1.7917
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  38  39
M  SBL   2  1  42
M  SMT   2  CH2OH
M  SVB   2 42   -0.0832    1.9585
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  44
M  SMT   1  OCH3
M  SVB   1 44   -1.7339    0.0918
S  SKP  8
ID	FL3FCADS0004
KNApSAcK_ID	C00006277
NAME	Isoswertisin 5-O-glucoside
CAS_RN	73051-76-0
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	O[C@H]([C@H](O)1)C(O[C@@H](Oc(c34)cc(c(c3OC(c(c5)ccc(c5)O)=CC(=O)4)[C@H](O2)[C@@H](O)[C@@H](O)[C@H](C2CO)O)OC)[C@H]1O)CO
M  END

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