Mol:FL1DA9NR0009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.2357   -1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465   -1.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573   -1.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573   -0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465   -0.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2357   -0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -2.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2104   -1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8499   -2.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4317   -1.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0123   -2.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -1.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0123   -0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4317   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -2.5331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6465   -2.4509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664   -0.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8816    0.1479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5673    0.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884    0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1884    1.3485    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8816    1.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2282    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1711    1.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1532    2.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8834    2.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5929   -0.3428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0928    0.5233    0.0000 C   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  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  2 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20  5  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
  6 29  1  0  0  0  0
 29 30  1  0  0  0  0
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   -2.5929   -0.3428
S  SKP  8
ID	FL1DA9NR0009
KNApSAcK_ID	C00008113
NAME	Adunctin C
CAS_RN	151484-75-2
FORMULA	C26H30O4
EXACTMASS	406.21440944799997
AVERAGEMASS	406.51399999999995
SMILES	O(c21)[C@](C4)(C=C[C@@H](C4)C(C)C)Cc(c(OC)cc(O)c2C(CCc(c3)cccc3)=O)1
M  END

</pre>