Mol:FL3FAKNS0001

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FL3FAKNS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.3202   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6513    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6513   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7639   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -0.1430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8763    0.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4610    1.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    1.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7529    2.6397    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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    1.3115    1.7424
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    2.1618    1.1662
S  SKP  8
ID	FL3FAKNS0001
KNApSAcK_ID	C00003915
NAME	Apometzgerin;Tricetin 3',4'-dimethyl ether;5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	76900-87-3
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c1)c(OC)c(O)cc1C(=C2)Oc(c3)c(c(O)cc(O)3)C(=O)2
M  END

</pre>

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