Mol:FLID2ANS0003

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FLID2ANS0003.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 26  0  0  0  0  0  0  0  0999 V2000
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    1.2788   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4518   -2.1566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178   -2.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6900    0.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -0.1333    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
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 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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 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   -2.8184    0.2742
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    2.1039   -1.0314
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   -2.4612    1.4439
S  SKP  8
ID	FLID2ANS0003
KNApSAcK_ID	C00009622
NAME	2-Methoxyhomopterocarpin
CAS_RN	56782-49-1
FORMULA	C18H18O5
EXACTMASS	314.115423686
AVERAGEMASS	314.33252
SMILES	c(c4OC)c(c1cc4OC)C(O3)C(c(c32)ccc(OC)c2)CO1
M  END

</pre>

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