Mol:FL64ABGM0001

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FL64ABGM0001.png

 
 
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 33 37  0  0  0  0  0  0  0  0999 V2000 
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    1.5950    1.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.8763    1.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.8587   -1.8633    0.0000 O   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  1  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 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  7 19  1  6  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 25 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
 19 20  1  0  0  0  0 
 21 17  1  0  0  0  0 
  6 28  1  0  0  0  0 
  2 29  1  0  0  0  0 
 14 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1 OCH3 
M  SBV   1 34   -5.4824    4.9094 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2 CH2OH 
M  SBV   2 36   -5.6963    4.6088 
S  SKP  8 
ID	FL64ABGM0001 
KNApSAcK_ID	C00008978 
NAME	Eruberin A 
CAS_RN	90146-68-2 
FORMULA	C24H28O9 
EXACTMASS	460.17333249399996 
AVERAGEMASS	460.47372 
SMILES	C(C(O)5)(CO)OC(C(C5O)3)Oc(c4C)c(c1c(c4O)C)C(O3)CC(c(c2)ccc(OC)c2)O1 
M  END
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