Mol:FLIA2CNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1879   -0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1319   -0.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6581    0.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2962   -0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7700   -1.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7664    0.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486    0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4046   -0.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8784   -0.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8746    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8148    1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3774    1.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9998    1.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0597    0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4971    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7105    1.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6619   -1.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3176    2.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4281   -0.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8190    1.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6381    2.3933    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
  8 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
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
  2 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
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    2.1039   -0.6772
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   -2.8184    0.6284
S  SKP  8
ID	FLIA2CNS0002
KNApSAcK_ID	C00009407
NAME	Odoratin
CAS_RN	53948-00-8
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c1)c(O2)cc(O)c(OC)1
M  END

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