Mol:FL2FADNI0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 37 39  0  0  0  0  0  0  0  0999 V2000
   -1.9779   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9779   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8653   -0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473   -0.3209    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3090    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9374    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9374    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090   -1.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -1.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8034    1.1548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5340   -1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0901   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6450   -1.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1999   -0.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6450   -1.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9777    0.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9777    1.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216    1.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698   -0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354   -0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999   -0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354   -0.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    1.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.4556    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  6 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
 13 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  36  37
M  SBL   1  1  38
M  SMT   1  OCH3
M  SVB   1 38    1.6538    1.5583
S  SKP  8
ID	FL2FADNI0002
KNApSAcK_ID	C00008324
NAME	Amoritin
CAS_RN	83474-68-4
FORMULA	C31H38O6
EXACTMASS	506.266838948
AVERAGEMASS	506.62982
SMILES	CC(C)=CCc(c3O)c(O1)c(c(c(CC=C(C)C)3)O)C(CC1c(c2)cc(c(c(CC=C(C)C)2)O)OC)=O
M  END

</pre>