Mol:FLID3ANS0005

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FLID3ANS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0573    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6883   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -0.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -1.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0117    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6398    1.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399    2.1721    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  1  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  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.6398    1.3061
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.4482    1.5816
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    1.9253   -1.1691
S  SKP  8
ID	FLID3ANS0005
KNApSAcK_ID	C00009625
NAME	4-Methoxyhomopterocarpin
CAS_RN	22973-36-0
FORMULA	C18H18O5
EXACTMASS	314.115423686
AVERAGEMASS	314.33252
SMILES	c(c4OC)(OC)ccc(c41)C(O3)C(c(c32)ccc(OC)c2)CO1
M  END

</pre>

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