Mol:FL5FDANS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.9630    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8431   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943   -1.5255    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
  3 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    0.4611   -0.7319
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   -1.8431   -1.0073
S  SKP  8
ID	FL5FDANS0002
KNApSAcK_ID	C00004568
NAME	Kaempferol 3,5-dimethyl ether;7,4'-Dihydroxy-3,5-dimethoxyflavone;7-Hydroxy-2-(4-hydroxyphenyl)-3,5-dimethoxy-4H-1-benzopyran-4-one
CAS_RN	1486-65-3
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)=C(OC)1
M  END

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