Mol:FLIAACGS0002

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Copyright: ARM project http://www.metabolome.jp/
 33 37  0  0  0  0  0  0  0  0999 V2000
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   -4.0334    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
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 31 16  1  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  36
M  SMT   1  CH2OH
M  SVB   1 36    -3.078     1.773
S  SKP  8
ID	FLIAACGS0002
KNApSAcK_ID	C00010120
NAME	5-Hydroxypseudobaptigenin 7-O-glucoside
CAS_RN	52663-80-6
FORMULA	C22H20O11
EXACTMASS	460.100561482
AVERAGEMASS	460.3876
SMILES	[C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c5)cc(c(c54)C(C(=CO4)c(c3)cc(O2)c(c3)OC2)=O)O)CO)O)O
M  END

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