Mol:FL3FGLNS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -3.2502   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3978   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8107    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4434    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6631   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366    1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0978    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2462    2.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8909    2.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149    2.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6940    1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179    1.0358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3117    3.2689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0295    4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9041    3.8209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620    4.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2757   -0.2524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2375    0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7974   -1.3781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5634   -2.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090   -1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -0.8071    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
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
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   -2.9555   -0.3996
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   -2.5983      0.77
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   -1.4067    1.0455
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    1.8838    0.2661
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     2.241    1.4543
S  SKP  8
ID	FL3FGLNS0003
KNApSAcK_ID	C00003967
NAME	Agehoustin F
CAS_RN	111316-38-2
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	O(C)c(c31)c(c(c(c(C(=O)C=C(O3)c(c2)c(cc(OC)c2OC)O)1)O)OC)OC
M  END

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