Mol:FL2FG9NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.6096   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9769   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7572   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1701    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9504    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3633    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9960    1.2726    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2157    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4087    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1848    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6056    2.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2503    2.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4743    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0534    1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4150    0.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1249   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6548   -0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1568   -1.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0684   -1.5217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560   -0.8071    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
  6 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 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   -2.3149   -0.3996
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   -1.9576      0.77
S  SKP  8
ID	FL2FG9NS0001
KNApSAcK_ID	C00008159
NAME	Didymocarpin A
CAS_RN	72061-65-5
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c(OC)1)c(O)c(O2)c(C(=O)CC(c(c3)cccc3)2)c(O)1
M  END

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