Mol:FL3FFACS0002

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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  33  34
M  SBL   3  1  36
M  SMT   3  CH2OH
M  SVB   3 36   -2.8345    -0.163
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   -1.1371    0.7444
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    0.0545    1.0199
S  SKP  8
ID	FL3FFACS0002
KNApSAcK_ID	C00006149
NAME	Swertisin 8-methyl ether;Precatorin I;6-beta-D-Glucopyranosyl-5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	120727-05-1
FORMULA	C23H24O11
EXACTMASS	476.13186161
AVERAGEMASS	476.43006
SMILES	C(O4)(=CC(c(c42)c(c([C@H](O3)[C@@H](O)[C@@H](O)[C@H](C3CO)O)c(c(OC)2)OC)O)=O)c(c1)ccc(c1)O
M  END

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