Mol:FL5FFAGS0019

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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  34  35
M  SBL   3  1  37
M  SMT   3  CH2OH
M  SVB   3 37   -3.5722    0.9578
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35    3.6234    1.5104
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    0.0167    0.9894
S  SKP  8
ID	FL5FFAGS0019
KNApSAcK_ID	C00005365
NAME	Prudomenin
CAS_RN	24568-40-9
FORMULA	C23H24O12
EXACTMASS	492.126776232
AVERAGEMASS	492.42946
SMILES	O(C)c(c4)ccc(c4)C(=C3O)Oc(c(C3=O)2)c(OC)c(cc2O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

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