Mol:FL2FDENM0001

From Metabolomics.JP
Jump to: navigation, search

FL2FDENM0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.0977   -0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0977   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5414   -1.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9851   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9851   -0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5414    0.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4288   -1.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1275   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1275   -0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4288    0.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6836    0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2505   -0.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8175    0.1819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8175    0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2505    1.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6836    0.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4288   -1.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2505    1.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5414    0.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2430    1.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9575    0.6697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9779   -1.2633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2634   -1.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1606    0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9575    0.4445    0.0000 C   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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  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 
 15 18  1  0  0  0  0 
  6 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  1 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1 OCH3 
M  SBV   1 22   -7.4225    6.5208 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2 OCH3 
M  SBV   2 24   -8.2844    6.1146 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3 ^OCH3 
M  SBV   3 26   -7.9108    6.6453 
S  SKP  8 
ID	FL2FDENM0001 
KNApSAcK_ID	C00008314 
NAME	3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone 
CAS_RN	86890-96-2 
FORMULA	C19H20O6 
EXACTMASS	344.125988372 
AVERAGEMASS	344.3585 
SMILES	c(c1C)(OC)cc(c(C(=O)2)c(OC(c(c3)cc(O)c(OC)c3)C2)1)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox