Mol:FL5F1LGL0001

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  46
M  SMT   1  CH2OH
M  SVB   1 46     0.886   -2.6145
S  SKP  8
ID	FL5F1LGL0001
KNApSAcK_ID	C00005627
NAME	3,7,2',3',4'-Pentahydroxyflavone 3-neohesperidoside
CAS_RN	83841-48-9
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	O(C=2c(c5)c(c(c(c5)O)O)O)c(c1C(=O)C(O[C@@H](C3O[C@H]([C@H]4O)OC(C)[C@H]([C@H]4O)O)O[C@H](CO)[C@@H](C(O)3)O)2)cc(O)cc1
M  END

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