Mol:FL1C3ANS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.5101    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975    0.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538    0.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412   -0.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2712   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883   -0.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3883    0.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8273    0.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8412   -0.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0662    0.9592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -0.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2246    0.0872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5101   -0.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    0.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246    0.5549    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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  20
M  SMT   1 ^OCH3
M  SBV   1 20   -5.9636    2.7096
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  22
M  SMT   2 OCH3
M  SBV   2 22   -4.6883    2.9420
S  SKP  8
ID	FL1C3ANS0003
KNApSAcK_ID	C00006950
NAME	Kukulkanin A
CAS_RN	124704-82-1
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c2)ccc(c2)C=CC(=O)c(c1)c(O)c(OC)c(O)c1
M  END

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