Mol:FL5FACNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.9630    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9630   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8504    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067    0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2622    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941    0.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2941   -1.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -0.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4067   -1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5191    0.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    1.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8183   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3643   -1.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482   -1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0782   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4482   -2.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3853    2.3701    0.0000 O   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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 16 27  1  0  0  0  0
S  SKP  8
ID	FL5FACNS0002
KNApSAcK_ID	C00004928
NAME	Quercetin 3-isobutyrate
CAS_RN	102607-66-9
FORMULA	C19H16O8
EXACTMASS	372.08451748799996
AVERAGEMASS	372.32554
SMILES	c(c12)(O)cc(O)cc(OC(c(c3)cc(O)c(O)c3)=C(C2=O)OC(=O)C(C)C)1
M  END

</pre>