Mol:FL5FFAGL0005

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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  44  45
M  SBL   3  1  48
M  SMT   3  CH2OH
M  SVB   3 48    3.2523    0.2205
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2  CH2OH
M  SVB   2 44   -0.7517     -2.05
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  46
M  SMT   1  OCH3
M  SVB   1 46   -2.0254    2.1678
S  SKP  8
ID	FL5FFAGL0005
KNApSAcK_ID	C00005357
NAME	Sexangularetin 3-sophoroside
CAS_RN	114882-17-6
FORMULA	C28H32O17
EXACTMASS	640.163949598
AVERAGEMASS	640.54348
SMILES	[C@@H](CO)(O1)[C@H](O)C(C(O[C@@H](O5)[C@H](O)[C@@H]([C@@H](C5CO)O)O)[C@H](OC(C(=O)3)=C(Oc(c4OC)c(c(cc(O)4)O)3)c(c2)ccc(c2)O)1)O
M  END

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