Mol:FL3FFAGS0011

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FL3FFAGS0011.png

<pre>

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M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  46
M  SMT   2  CH2OH
M  SVB   2 46   -2.6603    -0.115
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  44
M  SMT   1  CH2OH
M  SVB   1 44   -2.5144    1.6872
S  SKP  8
ID	FL3FFAGS0011
KNApSAcK_ID	C00004497
NAME	8-Hydroxyapigenin 7-sophoroside
CAS_RN	-
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	O[C@@H]([C@@H](O)1)[C@H](O[C@@H]([C@H]2O)[C@H](Oc(c3)c(c(O4)c(C(C=C4c(c5)ccc(O)c5)=O)c(O)3)O)OC([C@@H]2O)CO)OC([C@@H]1O)CO
M  END

</pre>

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