Mol:FL5FABGA0001

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
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 22 23  1  1  0  0  0
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 20  8  1  0  0  0  0
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 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  CH2OH
M  SVB   2 35    3.2143   -1.5134
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    1.8239    1.5133
S  SKP  8
ID	FL5FABGA0001
KNApSAcK_ID	C00005286
NAME	Kaempferide 3-galactoside
CAS_RN	78386-03-5
FORMULA	C22H22O11
EXACTMASS	462.116211546
AVERAGEMASS	462.40348000000006
SMILES	O(C)c(c4)ccc(c4)C(O2)=C(C(=O)c(c3O)c2cc(c3)O)O[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O
M  END

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