Mol:FL4DCCGS0002

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Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 15 16  1  0  0  0  0
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  8 18  1  1  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
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  6 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34   -2.1566   -0.6249
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  33  34
M  SBL   1  1  36
M  SMT   1  OCH3
M  SVB   1 36   -1.5032    0.9756
S  SKP  8
ID	FL4DCCGS0002
KNApSAcK_ID	C00008720
NAME	Padmatin 5-glucoside
CAS_RN	93078-94-5
FORMULA	C22H24O12
EXACTMASS	480.126776232
AVERAGEMASS	480.41876
SMILES	c(c23)c(OC)cc(c(C([C@H](O)[C@@H](c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M  END

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