Mol:FL5FACGL0015

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FL5FACGL0015.png

<pre>

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  43  44
M  SBL   2  1  47
M  SMT   2  CH2OH
M  SVB   2 47   -3.5117    0.7991
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  CH2OH
M  SVB   1 45    3.6827    -1.362
S  SKP  8
ID	FL5FACGL0015
KNApSAcK_ID	C00005427
NAME	Quercetin 3,7-diglucoside
CAS_RN	6892-74-6
FORMULA	C27H30O17
EXACTMASS	626.148299534
AVERAGEMASS	626.5169000000001
SMILES	O=C(c31)C(O[C@@H](C(O)5)O[C@@H]([C@@H](C(O)5)O)CO)=C(c(c4)ccc(O)c4O)Oc1cc(cc3O)O[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@@H]2O
M  END

</pre>

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