Mol:FL4DACNI0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4156    0.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6955    0.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4244   -0.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -0.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0040   -0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0153    0.2286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7171   -1.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -0.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4420    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7353    0.6313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638    0.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727    1.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    1.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    1.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5938    0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8739    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -1.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7116   -1.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1239    0.6638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    1.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433   -1.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2730    0.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1530   -0.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9080   -0.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075   -0.9669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6075   -1.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2730   -0.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
  8 21  1  0  0  0  0
 15 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
S  SKP  8
ID	FL4DACNI0004
KNApSAcK_ID	C00014400
NAME	6-(3''-Oxobutyl)taxifolin;3,5,7,3',4'-Pentahydroxy-6-(3-oxobutyl)flavanone
CAS_RN	220936-65-2
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c3CCC(C)=O)(O)cc(O1)c(c3O)C(C(C1c(c2)cc(O)c(O)c2)O)=O
M  END

</pre>