Mol:FL5FACGL0068

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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   -0.2077   -3.0248
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  63  64
M  SBL   2  1  69
M  SMT   2  CH2OH
M  SVB   2 69    -2.892   -0.7694
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  67  68
M  SBL   1  1  73
M  SMT   1  OCH3
M  SVB   1 73    4.2664    2.8597
S  SKP  8
ID	FL5FACGL0068
KNApSAcK_ID	C00005987
NAME	Quercetin 3-(6''''-ferulylsophorotrioside)
CAS_RN	167638-66-6
FORMULA	C43H48O25
EXACTMASS	964.2484670859999
AVERAGEMASS	964.82622
SMILES	C(C([C@@H]7O)O[C@H]([C@H]([C@H]7O)O[C@H](O4)C(O[C@H]([C@H](O)6)OC([C@H]([C@H]6O)O)COC(=O)C=Cc(c5)ccc(O)c5OC)C(O)[C@@H](O)[C@H]4CO)OC(C(=O)1)=C(c(c3)cc(c(c3)O)O)Oc(c2)c1c(O)cc(O)2)O
M  END

</pre>

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