Mol:FL5FFCNI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 34  0  0  0  0  0  0  0  0999 V2000
   -2.3202    0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2076    0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950   -0.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    0.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513    0.5932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.1923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    1.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    1.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -0.6914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.3336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -1.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9672   -1.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0450   -1.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -1.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9672   -2.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4721   -0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    2.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    3.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4859    1.1663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495    2.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950    1.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950    1.2478    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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  31  32
M  SBL   3  1  33
M  SMT   3  OCH3
M  SVB   3 33    2.1618     1.575
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  31
M  SMT   2  OCH3
M  SVB   2 31   -1.4859    1.1663
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29    1.3115    2.1513
S  SKP  8
ID	FL5FFCNI0001
KNApSAcK_ID	C00004942
NAME	Flaccidine
CAS_RN	137832-26-9
FORMULA	C23H22O9
EXACTMASS	442.126382302
AVERAGEMASS	442.41538
SMILES	O(c(c3)c(OC)cc(c3)C(O2)=C(C(=O)c(c21)c(O)cc(c1OC)O)OC(C(C)=CC)=O)C
M  END

</pre>