Mol:FLIA1CCS0002

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Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
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  7 11  2  0  0  0  0
  1 12  1  0  0  0  0
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 15 21  1  0  0  0  0
  6 16  1  0  0  0  0
 22 23  2  0  0  0  0
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 27 22  1  0  0  0  0
 27  8  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1 CH2OH
M  SBV   1 32   -7.4698    5.9737
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2 OCH3
M  SBV   2 34   -7.3896    6.0200
S  SKP  8
ID	FLIA1CCS0002
KNApSAcK_ID	C00006367
NAME	Pueraria glycoside 3
CAS_RN	117047-07-1
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	O(C4CO)C(C(O)C(C4O)O)c(c21)c(ccc(C(=O)C(c(c3)cc(c(c3)O)OC)=CO2)1)O
M  END

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