Mol:FL4DBANM0001

From Metabolomics.JP
Jump to: navigation, search

FL4DBANM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -1.7799   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2590   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7382   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7382    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2590    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7799    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2173   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3036   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3036    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2173    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8240    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2173   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3583    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8927    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8927    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3583    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8240    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3003    0.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8240   -0.7824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3003   -0.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3003    1.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7133   -0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9989   -1.3454    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 
  9 11  1  1  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  6 18  1  0  0  0  0 
  8 19  1  6  0  0  0 
  1 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  2 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1 OCH3 
M  SBV   1 24   -8.4439    4.5248 
S  SKP  8 
ID	FL4DBANM0001 
KNApSAcK_ID	C00008593 
NAME	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone 
CAS_RN	78417-24-0 
FORMULA	C17H16O6 
EXACTMASS	316.094688244 
AVERAGEMASS	316.30534 
SMILES	COc(c(C)3)c(C(=O)1)c(cc(O)3)OC(c(c2)ccc(O)c2)C(O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox