Mol:FL3FAKNS0001

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FL3FAKNS0001.png

 
 
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 
   -1.2076   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2076   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6513   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0950   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -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
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