Mol:FL5FA9GS0005

<pre>

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  32  33
M  SBL   3  1  35
M  SMT   3  CH2OH
M  SVB   3 35   -3.4752    0.2581
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37    3.5787    -0.022
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    3.0855    1.7424
S  SKP  8
ID	FL5FA9GS0005
KNApSAcK_ID	C00005626
NAME	Lagotiside
CAS_RN	123914-42-1
FORMULA	C23H24O12
EXACTMASS	492.126776232
AVERAGEMASS	492.42946
SMILES	C(c(c4)cc(cc(OC)4)OC)(=C3O)Oc(c1)c(C3=O)c(cc1O[C@@H]([C@H]2O)OC(CO)[C@@H]([C@@H]2O)O)O
M  END

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