Mol:FL3FACNS0002

Latest revision as of 09:00, 14 March 2009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -0.6429   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6429   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1918   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2592   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2592   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1918    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7103   -0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1614   -0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1614   -0.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7103    0.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7103   -1.3305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6123    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0720   -0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5317    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5317    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0720    0.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6123    0.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1624    0.1568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1918   -1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1261    0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0720    1.4442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8143   -0.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8143   -0.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4207    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4207    0.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1261   -0.2767    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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 16 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 
S  SKP  8 
ID	FL3FACNS0002 
KNApSAcK_ID	C00004320 
NAME	Luteolin 7-lactate 
CAS_RN	126394-95-4 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(OC(=O)C(C)O)(c3)cc(c(c(O)3)1)OC(c(c2)cc(O)c(O)c2)=CC1=O 
M  END