Mol:FL3FFAGS0012

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  47
M  SMT   3  CH2OH
M  SVB   3 47   -3.0175    -0.115
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  39  40
M  SBL   2  1  43
M  SMT   2  CH2OH
M  SVB   2 43   -2.8716    1.6872
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  45
M  SMT   1  OCH3
M  SVB   1 45    3.5941    1.9261
S  SKP  8
ID	FL3FFAGS0012
KNApSAcK_ID	C00004499
NAME	Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)-glucoside
CAS_RN	143061-76-1
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	O[C@@H](C5CO)[C@@H]([C@@H]([C@@H](O5)O[C@@H]([C@H]1O)[C@H](Oc(c4O)cc(O)c(c42)C(=O)C=C(c(c3)ccc(OC)c3)O2)OC(CO)[C@@H]1O)O)O
M  END

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