Mol:FL3FDBNS0001

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FL3FDBNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.4197    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0624    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2998   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853   -1.4198    0.0000 C   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  2  0  0  0  0
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  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 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  24
M  SMT   3  OCH3
M  SVB   3 24   -2.2998   -1.0073
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    2.0624    1.4197
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.7769    0.7355
S  SKP  8
ID	FL3FDBNS0001
KNApSAcK_ID	C00003821
NAME	Apigenin 5,7,4'-trimethyl ether
CAS_RN	5631-70-9
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	c(C(=C3)Oc(c(C(=O)3)2)cc(OC)cc2OC)(c1)ccc(OC)c1
M  END

</pre>

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