Mol:FL3FELNS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.2410   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2410   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6847    0.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0158   -0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.1452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.6403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -0.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6847   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1830    1.4185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3171    2.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4062   -0.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    1.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9555    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.4428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983    1.3088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9288   -0.6042    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
  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
 17 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
 15 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   -0.7269
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    0.4428
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     2.241     1.127
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   -0.0612
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     0.183    1.4185
S  SKP  8
ID	FL3FELNS0005
KNApSAcK_ID	C00003978
NAME	Psiadiarabicin
CAS_RN	111950-81-3
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	COc(c3OC)cc(c2c3O)OC(=CC(=O)2)c(c1OC)cc(c(c1O)OC)OC
M  END

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