Mol:FL4DCDNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -1.8713   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3505   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8296   -0.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8296    0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3505    0.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8713    0.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3087   -0.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2122   -0.4893    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2122    0.1122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.3087    0.4129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3087   -1.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3505   -1.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3781    0.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6553   -0.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7919    0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3206    0.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8493    0.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8493    1.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3206    1.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7919    1.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201   -1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1201   -1.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6641   -1.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7153    1.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5850    1.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0088    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  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  1  1  0  0  0  0 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  2 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  8 14  1  0  0  0  0 
  9 15  1  6  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 21 23  1  0  0  0  0 
 18 24  1  0  0  0  0 
 19 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  25  26 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27     1.585    1.8925 
S  SKP  8 
ID	FL4DCDNS0002 
KNApSAcK_ID	C00008745 
NAME	3,5,7,4'-Tetrahydroxy-3'-methoxyflavanone 3-acetate 
CAS_RN	107390-27-2 
FORMULA	C18H16O8 
EXACTMASS	360.08451748799996 
AVERAGEMASS	360.31484 
SMILES	c(c21)(O)cc(O)cc(O[C@H](c(c3)cc(OC)c(O)c3)C(C2=O)OC(C)=O)1 
M  END