Mol:FL5FDANS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0624    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0624   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9498    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.7700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8948   -1.4911    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
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    0.3617   -0.6973
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.4197      0.77
S  SKP  8
ID	FL5FDANS0003
KNApSAcK_ID	C00004569
NAME	Kumatakenin;Kumatakillin;5,4'-Dihydroxy-3,7-dimethoxyflavone;Jaranol;Kaempferol 3,7-O-dimethyl ether;5-Hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	3301-49-3
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)cc(O1)c(c(O)3)C(=O)C(OC)=C1c(c2)ccc(O)c2
M  END

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