Mol:FL5FACGL0075

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<pre>

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  67  68
M  SBL   4  1  73
M  SMT   4  CH2OH
M  SVB   4 73   -4.0617    3.3105
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  65  66
M  SBL   3  1  71
M  SMT   3  CH2OH
M  SVB   3 71    -1.225   -1.1519
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  61  62
M  SBL   2  1  67
M  SMT   2  CH2OH
M  SVB   2 67    1.4593   -3.4073
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  63  64
M  SBL   1  1  69
M  SMT   1  OCH3
M  SVB   1 69    3.1889   -1.2205
S  SKP  8
ID	FL5FACGL0075
KNApSAcK_ID	C00005997
NAME	Quercetin 3-[2'''-(E)-caffeylsophoroside]-7-glucoside
CAS_RN	151649-66-0
FORMULA	C43H48O25
EXACTMASS	964.2484670859999
AVERAGEMASS	964.82622
SMILES	O(c75)C(=C(C(c5c(cc(c7)O[C@@H](O6)C(C([C@H](O)[C@@H]6CO)O)O)O)=O)O[C@@H]([C@H]2O[C@H](O4)C(C([C@H]([C@@H](CO)4)O)O)OC(C=Cc(c3)ccc(c(OC)3)O)=O)OC([C@@H]([C@H](O)2)O)CO)c(c1)cc(O)c(O)c1
M  END

</pre>

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