Mol:FLIFWXNF0002

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FLIFWXNF0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 32  0  0  0  0  0  0  0  0999 V2000
   -1.7464    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901    1.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    0.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775    1.2427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349   -0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297   -1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2245   -0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6297    0.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775   -0.6842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567    0.9215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    1.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573    1.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7349    0.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7725   -1.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4555   -1.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7349   -1.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120    1.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4754    2.7153    0.0000 C   0  0  0  0  0  0  0  0  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  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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 14  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31    -0.912    1.8157
S  SKP  8
ID	FLIFWXNF0002
KNApSAcK_ID	C00009599
NAME	Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone
CAS_RN	28607-94-5
FORMULA	C20H12O7
EXACTMASS	364.058302738
AVERAGEMASS	364.30508
SMILES	O(C)c(c26)c(o1)c(cc2C(C(c34)=C(O6)COc3cc(O5)c(OC5)c4)=O)cc1
M  END

</pre>

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