Mol:FL3FFGCS0001

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FL3FFGCS0001.png

<pre>

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M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  37  38
M  SBL   5  1  40
M  SMT   5  CH2OH
M  SVB   5 40   -2.9906   -0.1751
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  35  36
M  SBL   4  1  38
M  SMT   4  OCH3
M  SVB   4 38     3.098    0.1275
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  36
M  SMT   3  OCH3
M  SVB   3 36    2.6621    1.8147
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  OCH3
M  SVB   2 34   -0.0824    0.8839
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32    3.4552    1.2496
S  SKP  8
ID	FL3FFGCS0001
KNApSAcK_ID	C00006371
NAME	5,7-Dihydroxy-8,3',4',5'-tetramethoxyflavone 6-C-glucoside
CAS_RN	-
FORMULA	C25H28O13
EXACTMASS	536.152990982
AVERAGEMASS	536.48202
SMILES	c(c3O)(C(=O)1)c(c(c(c3[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)O)OC)OC(c(c2)cc(OC)c(OC)c2OC)=C1
M  END

</pre>

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