Mol:FL1CHYNP0007

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Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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   -1.8665   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3102    0.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1976   -0.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3587   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9148   -0.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4709   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319   -0.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929    0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4709    0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2090   -0.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5897    0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2090    0.7805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4228    0.8961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7466   -0.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0322   -0.9616    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
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 13  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
  3 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  30
M  SMT   1 OCH3
M  SBV   1 30   -4.9363    4.1754
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  32
M  SMT   2 OCH3
M  SBV   2 32   -5.9288    3.6938
S  SKP  8
ID	FL1CHYNP0007
KNApSAcK_ID	C00007014
NAME	Pongapinone A
CAS_RN	150501-60-3,146713-95-3
FORMULA	C23H22O7
EXACTMASS	410.136553058
AVERAGEMASS	410.41658000000007
SMILES	O(c12)COc(ccc(C(O)=CC(c(c4OC)c(OC)cc(c34)OC(C=C3)(C)C)=O)c2)1
M  END

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