Mol:FLIA2AGS0003

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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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   -0.7268    0.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3856    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3856   -0.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -0.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5391    0.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624    0.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266   -0.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1705   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9624   -1.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1154   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1154   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6668   -1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181   -1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181   -0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2090    0.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0750    1.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2782    1.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4410    0.0102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7266   -0.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22  1  1  0  0  0  0
 16 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 10 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   -9.9675    4.2879
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  -10.2835    3.5958
S  SKP  8
ID	FLIA2AGS0003
KNApSAcK_ID	C00010089
NAME	Glycitein 7-O-glucoside;Glycitin
CAS_RN	40246-10-4
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	OC(C1O)C(Oc(c2)c(cc(C3=O)c2OC=C3c(c4)ccc(c4)O)OC)OC(CO)C1O
M  END

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