Mol:FL1CBAGS0003

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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  42  43
M  SBL   3  1  45
M  SMT   3  CH2OH
M  SVB   3 45    3.1228    1.7261
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  38  39
M  SBL   2  1  41
M  SMT   2  CH2OH
M  SVB   2 41   -2.9276   -0.1884
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  43
M  SMT   1  OCH3
M  SVB   1 43    0.6847   -0.3168
S  SKP  8
ID	FL1CBAGS0003
KNApSAcK_ID	C00007887
NAME	4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-beta-glucoside
CAS_RN	162440-77-9
FORMULA	C28H34O15
EXACTMASS	610.189770418
AVERAGEMASS	610.56056
SMILES	C(O)(C1O)[C@@H](Oc(c4)ccc(c4)C=CC(=O)c(c(OC)2)c(O)cc(O[C@H](O3)[C@@H](O)[C@@H](O)[C@@H](O)C3CO)c2)O[C@H]([C@@H](O)1)CO
M  END

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