Mol:FLNACAGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -0.6386    1.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0823    1.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    0.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273    0.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6273    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505    1.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386    0.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0823    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505   -0.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505   -1.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6035   -1.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6035   -0.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036    1.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0505   -2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838   -0.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0034   -0.5341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6452   -1.0070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1294   -0.8064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6317   -0.8010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9933   -0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5202   -0.6285    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0034    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2036   -1.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338   -1.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    2.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4957    2.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3060   -0.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247    0.6933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  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
 19 23  1  0  0  0  0
 10 19  1  0  0  0  0
  1 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  34
M  SMT   2  CH2OH
M  SVB   2 34    -1.306   -0.0923
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -0.9958     2.099
S  SKP  8
ID	FLNACAGS0001
KNApSAcK_ID	C00010237
NAME	5,4'-Dihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside
CAS_RN	129369-35-3
FORMULA	C22H22O10
EXACTMASS	446.121296924
AVERAGEMASS	446.40408
SMILES	c(c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)1)c(OC)cc(O3)c1C(=CC(=O)3)c(c2)ccc(c2)O
M  END

</pre>