Mol:FL1CHYNI0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.3960    0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3960    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2834    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2834    0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397    1.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024    0.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    0.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5024    1.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9414    0.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2729   -0.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853   -0.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523    0.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523   -0.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084   -0.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0634   -0.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084   -1.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533    1.5931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534    2.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727    1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871    0.8829    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
 18  2  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26    0.2727    1.2954
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.7533    1.5931
S  SKP  8
ID	FL1CHYNI0001
KNApSAcK_ID	C00007003
NAME	Pongagallone A
CAS_RN	107585-61-5
FORMULA	C22H24O4
EXACTMASS	352.167459256
AVERAGEMASS	352.42356
SMILES	c(c(C(=O)C=C(c(c2)cccc2)O)1)(OC)cc(OC)c(CC=C(C)C)c1
M  END

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