Mol:FL5FECNSS010

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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  29  30
M  SBL   3  1  31
M  SMT   3  OCH3
M  SVB   3 31    2.2044    1.2102
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  27  28
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    1.3612    1.6823
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27   -2.9189   -0.7276
S  SKP  8
ID	FL5FECNSS010
KNApSAcK_ID	C00004986
NAME	Quercetagetin 6,3',4'-trimethyl ether 3-O-sulfate
CAS_RN	100363-98-2
FORMULA	C18H16O11S
EXACTMASS	440.041332044
AVERAGEMASS	440.37904000000003
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C(OS(O)(=O)=O)=C1c(c2)cc(OC)c(OC)c2)=O
M  END

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