Mol:FL3FGLNS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.6513   -0.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3798   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7399   -0.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3715   -0.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429    0.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2828    0.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7315   -0.4102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3631    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6346    0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745    0.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5199   -0.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663    1.2242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859    1.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7614    1.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4847    2.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5429    1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685   -1.4623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441    2.9469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2730    0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2577    1.9206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936   -0.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2366    0.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558    0.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8601    2.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6820    2.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282    2.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9475    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7576    1.6162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    1.5290    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  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
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  1 24  1  0  0  0  0
 24 25  1  0  0  0  0
 15 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
 14 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  30  31
M  SBL   6  1  32
M  SMT   6  OCH3
M  SVB   6 32    1.8838   -0.0612
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30     0.183    1.4185
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28     2.241     1.127
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26   -2.5983    0.4428
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.9555   -0.7269
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.4067    0.7182
S  SKP  8
ID	FL3FGLNS0006
KNApSAcK_ID	C00003980
NAME	Agehoustin D
CAS_RN	97564-58-4
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	COc(c3OC)cc(c(c3O)OC)C(O2)=CC(c(c21)c(c(c(c(OC)1)OC)OC)O)=O
M  END

</pre>