Mol:FL1CHYNI0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 31  0  0  0  0  0  0  0  0999 V2000
   -2.2362    1.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2362    0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    0.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    1.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    1.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5673    0.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0110    0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1012    0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622    0.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    0.4839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2232    1.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622    1.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1012    1.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5673   -0.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5451   -0.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    1.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.1628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923   -0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3473   -0.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3473   -1.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9022   -0.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5675    1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840    0.1601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7840   -0.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437   -0.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437   -1.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9022   -0.4882    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 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
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  1 24  1  0  0  0  0
  5 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
S  SKP  8
ID	FL1CHYNI0004
KNApSAcK_ID	C00007007
NAME	Glyinflanin A
CAS_RN	142542-83-4
FORMULA	C25H28O5
EXACTMASS	408.193674006
AVERAGEMASS	408.48682
SMILES	C(C(c(c2O)cc(c(c2)O)CC=C(C)C)=O)=C(O)c(c1)ccc(c1CC=C(C)C)O
M  END

</pre>