Mol:FLIAAENI0003

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FLIAAENI0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -0.2363   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3200    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363    0.3319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -0.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0657   -1.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -0.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4709   -0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2363   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613    0.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    0.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050    1.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4611    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0172    1.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6599   -0.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317   -2.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7978   -2.6395    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 15 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  25
M  SBL   2  1  25
M  SMT   2  CH2OH
M  SVB   2 25   -2.4611    2.2583
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  29
M  SMT   1  OCH3
M  SVB   1 29    2.3027   -1.8458
S  SKP  8
ID	FLIAAENI0003
KNApSAcK_ID	C00009904
NAME	Gancaonin D
CAS_RN	124596-88-9
FORMULA	C21H20O7
EXACTMASS	384.120902994
AVERAGEMASS	384.37929999999994
SMILES	c(c3)(O)c(C1=O)c(c(CC=C(CO)C)c3O)OC=C(c(c2)cc(O)c(OC)c2)1
M  END

</pre>

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