Mol:FL3FCADS0003

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Copyright: ARM project http://www.metabolome.jp/
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 40  1  0  0  0  0
 42 43  1  0  0  0  0
 32 42  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  43
M  SMT   1 ^ OCH3
M  SBV   1  43    0.4587   -0.7946
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  45
M  SMT   2  CH2OH
M  SBV   2  45   -0.4412   -0.5145
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  47
M  SMT   3  CH2OH
M  SBV   3  47   -0.7527   -0.0356
S  SKP  5
ID	FL3FCADS0003
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	C(=O)(c12)C=C(c(c5)ccc(c5)OC(O4)C(O)C(O)C(C4CO)O)Oc1c(C(C(O)3)OC(CO)C(O)C3O)c(cc(O)2)OC
M  END

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