Mol:FLIABAGS0001

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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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    0.6352    0.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2158   -1.0473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650   -0.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3352   -0.5485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3793   -0.9610    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
 16 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23  1  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 11 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   -8.2051    4.7573
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   -8.4137    3.6675
S  SKP  8
ID	FLIABAGS0001
KNApSAcK_ID	C00010166
NAME	5-O-Methylgenistein 7-O-glucoside
CAS_RN	128856-77-9
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	C(C1O)(C(C(OC1Oc(c2)cc(OC)c(C3=O)c(OC=C(c(c4)ccc(c4)O)3)2)CO)O)O
M  END

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