Mol:FLIFWXNF0004

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FLIFWXNF0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 34  0  0  0  0  0  0  0  0999 V2000
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    0.3358    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2205    0.5462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8919   -0.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8919   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4867   -1.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1055    1.2417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3667    0.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6055    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0815   -1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0815   -1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693   -1.9402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7838   -2.3527    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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  1  2  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 13 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  29
M  SMT   3  CH2OH
M  SVB   3 29   -3.0329     2.201
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  29  30
M  SBL   2  1  33
M  SMT   2  OCH3
M  SVB   2 33    1.0693   -1.9402
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  27  28
M  SBL   1  1  31
M  SMT   1  OCH3
M  SVB   1 31    2.3185   -1.6315
S  SKP  8
ID	FLIFWXNF0004
KNApSAcK_ID	C00009604
NAME	Dehydroamorphigenin;6a,12a-Didehydroamorphigenin
CAS_RN	29444-01-7
FORMULA	C23H20O7
EXACTMASS	408.120902994
AVERAGEMASS	408.40070000000003
SMILES	c(c14)cc(O5)c(CC5C(CO)=C)c1OC(=C(C(=O)4)3)COc(c23)cc(OC)c(c2)OC
M  END

</pre>

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