Mol:FL5FECGS0032

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  30  31
M  SBL   4  1  33
M  SMT   4  CH2OH
M  SVB   4 33   -3.2101   -0.6273
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  36  37
M  SBL   3  1  39
M  SMT   3  OCH3
M  SVB   3 39    1.3221   -0.6647
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    3.3906     1.493
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1  OCH3
M  SVB   1 35   -1.4592    0.8027
S  SKP  8
ID	FL5FECGS0032
KNApSAcK_ID	C00005678
NAME	Oxyayanin B 6-glucoside
CAS_RN	71827-16-2
FORMULA	C24H26O13
EXACTMASS	522.137340918
AVERAGEMASS	522.45544
SMILES	C(C([C@H](O)1)O[C@@H](Oc(c4O)c(OC)cc(c43)OC(=C(OC)C3=O)c(c2)ccc(c2O)OC)[C@H]([C@H]1O)O)O
M  END

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