Mol:FL2F3GGS0001

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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  30  31
M  SBL   3  1  33
M  SMT   3  CH2OH
M  SVB   3 33    3.1838    0.6217
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  37
M  SMT   2  OCH3
M  SVB   2 37    0.4275   -0.0688
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  35
M  SMT   1  OCH3
M  SVB   1 35   -0.0428    1.5891
S  SKP  8
ID	FL2F3GGS0001
KNApSAcK_ID	C00008396
NAME	7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside
CAS_RN	115236-25-4
FORMULA	C23H26O12
EXACTMASS	494.142426296
AVERAGEMASS	494.44534
SMILES	[C@H](O4)(C(O)C([C@H]([C@@H](CO)4)O)O)Oc(c(OC)3)c(OC)cc(c3)C(O2)CC(c(c21)ccc(O)c1O)=O
M  END

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