Mol:FLIA3AGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
   -1.4594    1.0011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    0.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468    1.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    0.6800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861    1.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9029    0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468   -0.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9391   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -1.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0418   -0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5633    0.7973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2170    0.3403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7184    0.5341    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1988    0.5284    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5869    0.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0963    0.7061    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0084    0.8363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5438   -0.0900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328    0.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    1.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3516    1.6010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9078   -1.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7739   -1.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0687    1.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3679    2.4737    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
 24 28  1  0  0  0  0
 28 29  1  0  0  0  0
 16 30  1  0  0  0  0
 30 31  1  0  0  0  0
  3 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  28  29
M  SBL   3  1  31
M  SMT   3  CH2OH
M  SVB   3 31   -3.3658    1.4332
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35   -0.0687    1.5741
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    3.2359   -1.1616
S  SKP  8
ID	FLIA3AGS0002
KNApSAcK_ID	C00010095
NAME	8-O-Methylretusin 7-O-glucoside
CAS_RN	68862-13-5
FORMULA	C23H24O10
EXACTMASS	460.136946988
AVERAGEMASS	460.43066
SMILES	O[C@@H]([C@H]1O)[C@H](Oc(c2)c(c(O3)c(C(C(c(c4)ccc(c4)OC)=C3)=O)c2)OC)OC(CO)[C@@H]1O
M  END

</pre>