Mol:FL5F1GNF0001

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FL5F1GNF0001.png

 
 
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 27 31  0  0  0  0  0  0  0  0999 V2000 
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    0.0025   -0.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1256    1.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5586    0.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7000    0.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3152    0.9706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8664    1.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6417    1.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8685   -1.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7345   -1.8498    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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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 16 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  26  27 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30    0.2014    -1.056 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28     1.409    1.6718 
S  SKP  8 
ID	FL5F1GNF0001 
KNApSAcK_ID	C00005093 
NAME	3'-Methoxypongapin 
CAS_RN	60077-58-9 
FORMULA	C20H14O7 
EXACTMASS	366.073952802 
AVERAGEMASS	366.32096 
SMILES	COc(c54)cc(cc(OCO5)4)C(O3)=C(C(=O)c(c31)ccc(o2)c1cc2)OC 
M  END
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