Mol:FL3FEAGS0038

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FL3FEAGS0038.png 

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  42  43
M  SBL   4  1  46
M  SMT   4  CH2OH
M  SVB   4 46   -0.4464   -0.1721
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  48  49
M  SBL   3  1  52
M  SMT   3  OCH3
M  SVB   3 52   -0.0327    1.2542
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  46  47
M  SBL   2  1  50
M  SMT   2  OCH3
M  SVB   2 50     4.316    2.6996
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  44  45
M  SBL   1  1  48
M  SMT   1  OCH3
M  SVB   1 48    0.3245     2.303
S  SKP  8
ID	FL3FEAGS0038
KNApSAcK_ID	C00004496
NAME	Scutellarein 6,7,4'-trimethyl ether 5-(6'''-acetylglucosyl)(1->3)-galactoside;5-[[3-O-(6-O-Acetyl-beta-D-glucopyranosyl)-beta-D-galactopyranosyl]oxy]-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	158556-64-0
FORMULA	C32H38O17
EXACTMASS	694.21089979
AVERAGEMASS	694.63392
SMILES	COc(c5)ccc(c5)C(O4)=CC(=O)c(c43)c(c(c(OC)c3)OC)O[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O[C@@H]([C@@H](O)2)OC([C@@H]([C@@H]2O)O)COC(C)=O
M  END

</pre>

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